uniprot long_target_name short_target_name short_target_name_2 short_target_name_3 smiles smiles_canonical iupac id_in_paper common_name warhead linker linker_R e3_ligand e3_ligase e3_ligase_structure warhead_canonical linker_canonical linker_R_canonical e3_ligand_canonical dc50 ic50 percent_degradation DC50_clean PercentDeg_clean IC50_clean PROTAC_label linker_sdf warhead_sdf e3_ligand_sdf 0 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC1=CC(C(C2=C3C=NC=C2)=CN(C)C3=O)=CC(OC)=C1CN4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCOCCOCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 26 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 560 560.0 1 linker/linker_1.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 1 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC(C=C(C(C1=C2C=NC=C1)=CN(C)C2=O)C=C3OC)=C3CN4CCN(CCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 51 VZ185 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 1.76 1.76 1 linker/linker_2.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 2 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC(C=C(C(C1=C2C=NC=C1)=CN(C)C2=O)C=C3OC)=C3CN4CCN(CCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 51 VZ185 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 4 4.0 1 linker/linker_2.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 3 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC(C=C(C(C1=C2C=NC=C1)=CN(C)C2=O)C=C3OC)=C3CN4CCN(CCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 51 VZ185 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 2/8 5.0 1 linker/linker_2.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 4 Q9NPI1 Bromodomain-containing protein 7 BRD7 BP75 CELTIX1 COC(C=C(C(C1=C2C=NC=C1)=CN(C)C2=O)C=C3OC)=C3CN4CCN(CCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 51 VZ185 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 4.5 4.5 1 linker/linker_2.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 5 Q9NPI1 Bromodomain-containing protein 7 BRD7 BP75 CELTIX1 COC(C=C(C(C1=C2C=NC=C1)=CN(C)C2=O)C=C3OC)=C3CN4CCN(CCCCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC([C@@H]7C[C@@H](O)CN7C([C@H](C(C)(C)C)NC(C8(F)CC8)=O)=O)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CN1CCN(CCCCCOC2=CC(C3=C(C)N=CS3)=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)CC1 (2S,4R)-N-[[2-[5-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 51 VZ185 COC1=CC(C2=CN(C(C3=CN=CC=C23)=O)C)=CC(OC)=C1CN4CCN([R1])CC4 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CC2=C(C=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 34.5 34.5 1 linker/linker_2.sdf warhead/warhead_1.sdf e3_ligand/e3_ligand_1.sdf 6 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(NCCCCNC(C4=CC=C(C=C4)NC([C@@H]([C@@H]5C6=CC=CC(Cl)=C6F)NC7(CCCCC7)[C@@]5(C8=CC=C(Cl)C=C8N9)C9=O)=O)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 1 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_7.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 7 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C8C(NC(CC8)=O)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 2 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7 7.0 1 linker/linker_1.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 8 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCNC6=CC=CC(C7=O)=C6C(N7C8C(NC(CC8)=O)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 4 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15 15.0 1 linker/linker_9.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 9 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(NCCCNC(C4=CC=C(C=C4)NC([C@@H]([C@@H]5C6=CC=CC(Cl)=C6F)NC7(CCCCC7)[C@@]5(C8=CC=C(Cl)C=C8N9)C9=O)=O)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 5 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9 9.0 1 linker/linker_10.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 10 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(NCCCCCNC(C4=CC=C(C=C4)NC([C@@H]([C@@H]5C6=CC=CC(Cl)=C6F)NC7(CCCCC7)[C@@]5(C8=CC=C(Cl)C=C8N9)C9=O)=O)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 6 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12 12.0 1 linker/linker_2.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 11 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCCCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 7 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22 22.0 1 linker/linker_12.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 12 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(NCCCCCCCNC(C4=CC=C(C=C4)NC([C@@H]([C@@H]5C6=CC=CC(Cl)=C6F)NC7(CCCCC7)[C@@]5(C8=CC=C(Cl)C=C8N9)C9=O)=O)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 8 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCCCCC [R1]CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_13.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 13 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCOCCNC6=CC=CC(C7=O)=C6C(N7C8C(NC(CC8)=O)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 9 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCOCC [R1]CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8 8.0 1 linker/linker_14.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 14 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C8C(NC(CC8)=O)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 10 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_15.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_7.sdf 15 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCCCC6=CC=CC(C7=O)=C6C(N7C8C(NC(CC8)=O)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(CCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 11 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCCC [R1]CCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29 29.0 1 linker/linker_2.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_16.sdf 16 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCCNC6=CC=CC(C7=O)=C6CN7C8C(NC(CC8)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=C(NCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 12 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCC [R1]CCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_7.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_17.sdf 17 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCCCC6=CC=CC(C7=O)=C6CN7C8C(NC(CC8)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=C(CCCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide MD-222(13) MD-222 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2.8 2.8 1 linker/linker_2.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_18.sdf 18 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCC#CC6=CC=CC(C7=O)=C6CN7C8C(NC(CC8)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=C(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide MD-224 (14) MD-224 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.5 1.5 1 linker/linker_19.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_18.sdf 19 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCC#CC6=CC=CC7=C6CN(C7=O)C8CCC(NC8=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=C(C#CCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=CC=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 15 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] C#CCC [R2]C#CCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F C#CCC [R1]CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3.9 3.9 1 linker/linker_20.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_18.sdf 20 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCC#CC6=CC=C(C(N(C7CCC(NC7=O)=O)C8)=O)C8=C6)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=CC(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)=CC=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pent-4-ynylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 16 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=CC([R2])=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F C#CCCC [R1]CCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_19.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_21.sdf 21 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCC#CC6=CC=C7C(C(N(C8CCC(NC8=O)=O)C7)=O)=C6)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 O=C1CCC(N2CC3=CC=C(C#CCCCNC(=O)C4=CC=C(NC(=O)[C@@H]5NC6(CCCCC6)[C@@]6(C(=O)NC7=CC(Cl)=CC=C76)[C@H]5C5=CC=CC(Cl)=C5F)C=C4)C=C3C2=O)C(=O)N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]pent-4-ynylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 17 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] C#CCCC [R2]C#CCCC[R1] O=C1CCC(N2CC3=CC=C([R2])C=C3C2=O)C(N1)=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F C#CCCC [R1]CCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 5 5.0 1 linker/linker_19.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_22.sdf 22 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]carbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 18 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1200 1200.0 0 linker/linker_7.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_23.sdf 23 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCOCCOCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 19 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 500 500.0 1 linker/linker_1.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_23.sdf 24 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C2C(NC([C@@]23C4(CCCCC4)N[C@@H](C(NC5=CC=C(C(NCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=O)C=C5)=O)[C@@H]3C9=CC=CC(Cl)=C9F)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)C3=CC=C(NC(=O)[C@@H]4NC5(CCCCC5)[C@@]5(C(=O)NC6=CC(Cl)=CC=C65)[C@H]4C4=CC=CC(Cl)=C4F)C=C3)C(C)(C)C)C=C2)SC=N1 chloro-(3-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-oxodispiro[BLAH]carboxamide 20 O=C(C1=CC=C(C=C1)NC([C@@H]2NC3([C@]4([C@H]2C5=CC=CC(Cl)=C5F)C(NC6=CC(Cl)=CC=C64)=O)CCCCC3)=O)N[R1] CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]3(C4=C(C=C(C=C4)Cl)NC3=O)C5(N2)CCCCC5)C6=C(C(=CC=C6)Cl)F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 340 340.0 1 linker/linker_15.sdf warhead/warhead_7.sdf e3_ligand/e3_ligand_23.sdf 25 P03372 Estrogen receptor ER ESR1 NR3A1 OC1=CC=C2C(SC(C3=CC=C(O)C=C3)=C2C(C4=CC=C(OCCN(CCCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)CC)C=C4)=O)=C1 CCN(CCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCOC1=CC=C(C(=O)C2=C(C3=CC=C(O)C=C3)SC3=CC(O)=CC=C23)C=C1 (2S,4R)-1-[(2S)-2-[[2-[5-[ethyl-[2-[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]phenoxy]ethyl]amino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 32 ERD-308 CCN([R1])CCOC1=CC=C(C=C1)C(C2=C(SC3=CC(O)=CC=C23)C4=CC=C(C=C4)O)=O CCCCCOC [R1]CCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(CC)CCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O CCCCCOC [R1]CCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.17/0.43 0.77 0.3 0.77 1 linker/linker_26.sdf warhead/warhead_26.sdf e3_ligand/e3_ligand_23.sdf 26 P10275 Androgen receptor AR DHTR NR3C4 CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(CCNC(C4=CC=C(C=C4F)N5C(N(C(C5(C)C)=O)C6=CC=C(C(C(F)(F)F)=C6)C#N)=S)=O)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CC [R1]CC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 26/35/28 29.666666666666668 0 linker/linker_9.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 27 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCC [R1]CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15/23/23 20.33333333333333 0 linker/linker_10.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 28 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16/20/25 20.33333333333333 0 linker/linker_7.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 29 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11/25/29 21.666666666666668 0 linker/linker_2.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 30 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54/84/64 67.33333333333333 0 linker/linker_12.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 31 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/29/65 34.0 0 linker/linker_13.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 32 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCCC [R1]CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15/66/87 56.0 0 linker/linker_33.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 33 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10/48/88 48.66666666666666 0 linker/linker_34.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 34 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 16 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11/48/86 48.333333333333336 0 linker/linker_35.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 35 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 17 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 30/69/75 58.0 0 linker/linker_36.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 36 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC(F)=C(C=C3)C(NCCOCCOCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)C3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 18 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32/35/40 35.666666666666664 0 linker/linker_1.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_27.sdf 37 P10275 Androgen receptor AR DHTR NR3C4 CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(CCCCCCC4=CC=C(C=N4)C#CC5=CC=C(C=C5)N6C(N(C(C6(C)C)=O)C7=CC=C(C(C(F)(F)F)=C7)C#N)=S)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 19 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(CCCCCC)N=C1 [R2]CCCCCCC(N=C1)=CC=C1C#C[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(CCCCCC)N=C1 [R1]C#CC1=CN=C(C=C1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 30/63/96 63.0 0 linker/linker_38.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 38 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)CCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(NCC7=CC=C(C=C7)C8=C(N=CS8)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 20 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCN(CCC)CC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN(CC2)CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(CCC)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50/80/80 70.0 1 linker/linker_39.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 39 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)CCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 21 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCN(CCC)CC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN(CC2)CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(CCC)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 37/61/92 63.333333333333336 0 linker/linker_39.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_23.sdf 40 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)CCCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 22 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCN(CCCC)CC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN(CC2)CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(CCCC)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28/48/89 55.0 0 linker/linker_41.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_23.sdf 41 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)CCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCN(CC)CC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN(CC2)CC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(CC)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34/51/78 54.333333333333336 0 linker/linker_42.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_23.sdf 42 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)CC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCN(C)CC2)N=C1 [R2]CN(CC1)CCN1C(N=C2)=CC=C2C#C[R1] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(C)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3/31/28 20.666666666666668 0 linker/linker_43.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_23.sdf 43 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C(C)(C(N1C2=CC=C(C(C(F)(F)F)=C2)C#N)=O)C)C3=CC=C(C=C3)C#CC4=CC=C(N=C4)N5CCN(CC5)C(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)N3CCN(C4=CC=C(C#CC5=CC=C(N6C(=S)N(C7=CC=C(C#N)C(C(F)(F)F)=C7)C(=O)C6(C)C)C=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperazine-1-carboxamide 25 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCNCC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN([R2])CC2 CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCNCC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/12/0 4.0 0 linker/linker_44.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_23.sdf 44 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC(F)=C(C(NCCCCCCCCCNC(C[C@H](NC([C@@H]3C[C@@H](O)CN3C([C@@H](C4=CC(C)=NO4)C(C)C)=O)=O)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C=C2)C(C)(C)C(N1C7=CC=C(C#N)C(C(F)(F)F)=C7)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)C2=CC=C(N3C(=S)N(C4=CC=C(C#N)C(C(F)(F)F)=C4)C(=O)C3(C)C)C=C2F)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[9-[[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorobenzoyl]amino]nonylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 26 CC1(C(N(C(N1C2=CC=C(C(F)=C2)C(N[R1])=O)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC(N[R2])=O)=O)O)=O)=C1 VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 11/50/87 49.333333333333336 0 linker/linker_34.sdf warhead/warhead_27.sdf e3_ligand/e3_ligand_45.sdf 45 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(C#CC3=CC=C(N4CCN(CCCNC(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC4)N=C3)C=C2)C(C)(C)C(N1C9=CC=C(C#N)C(C(F)(F)F)=C9)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCN2CCN(C3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[3-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]propylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 27 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N=C1)N2CCN(CC2)CCC [R1]C#CC1=CC=C(N=C1)N2CCN(CC2)CCC[R2] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC(N[R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCN(CCC)CC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)CCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 27/75/94 65.33333333333333 0 linker/linker_39.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_45.sdf 46 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(C#CC3=CC=C(N4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC4)N=C3)C=C2)C(C)(C)C(N1C9=CC=C(C#N)C(C(F)(F)F)=C9)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCN(C3=CC=C(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=N3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[5-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]pyridin-2-yl]piperazin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 28 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1=CC=C(N2CCNCC2)N=C1 [R1]C#CC1=CC=C(N=C1)N2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1=CC=C(N2CCNCC2)N=C1 [R1]C#CC1=CN=C(C=C1)N2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 22/72/93 62.333333333333336 0 linker/linker_44.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_47.sdf 47 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(C#CC3CCN(C4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC4)CC3)C=C2)C(C)(C)C(N1C9=CC=C(C#N)C(C(F)(F)F)=C9)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 29 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 20/81/97 66.0 0 linker/linker_48.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_47.sdf 48 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(C#CC3CCN(C4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC4)CC3)C=C2)C9(CCC9)C(N1C%10=CN=C(C#N)C(C(F)(F)F)=C%10)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(N5C(=S)N(C6=CN=C(C#N)C(C(F)(F)F)=C6)C(=O)C56CCC6)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 30 N#CC1=NC=C(C=C1C(F)(F)F)N2C(C3(N(C2=S)C4=CC=C([R1])C=C4)CCC3)=O C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 38/80/95 71.0 1 linker/linker_48.sdf warhead/warhead_49.sdf e3_ligand/e3_ligand_47.sdf 49 P10275 Androgen receptor AR DHTR NR3C4 O=C([C@@H]1C[C@@H](O)CN1C([C@@H](C2=CC(C)=NO2)C(C)C)=O)N[C@@H](CC(N(CC3)CCC3N(CC4)CCC4C#CC(C=C5)=CC=C5S(CC(C)(O)C(NC6=CC=C(C#N)C(C(F)(F)F)=C6)=O)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7 CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(S(=O)CC(C)(O)C(=O)NC5=CC=C(C#N)C(C(F)(F)F)=C5)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]sulfinylphenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 31 CC(CS(C1=CC=C([R1])C=C1)=O)(C(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)O C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)S(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 18/34/35 29.0 0 linker/linker_48.sdf warhead/warhead_50.sdf e3_ligand/e3_ligand_47.sdf 50 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 32 ARD-61 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 76/98/99 91.0 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_47.sdf 51 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 32 ARD-61 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 7.2/1 2/2 76/>95/>99 4.1 90.0 2.0 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_47.sdf 52 P10275 Androgen receptor AR DHTR NR3C4 O=C([C@@H]1C[C@@H](O)CN1C([C@@H](C2=CC(C)=NO2)C(C)C)=O)N[C@@H](CC(N(CC3)CCC3N(CC4)CCC4C#CC(C=C5)=CC=C5CC(C(C)=N6)=C(C)N6C7=CC=C(C#N)C(Cl)=C7)=O)C8=CC=C(C9=C(C)N=CS9)C=C8 CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(CC5=C(C)N(C6=CC=C(C#N)C(Cl)=C6)N=C5C)C=C4)CC3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 33 CC1=NN(C(C)=C1CC2=CC=C([R1])C=C2)C3=CC=C(C(Cl)=C3)C#N C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)CC2=C(N(N=C2C)C3=CC(=C(C=C3)C#N)Cl)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 65/93/78 78.66666666666667 1 linker/linker_48.sdf warhead/warhead_53.sdf e3_ligand/e3_ligand_47.sdf 53 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 34 ARD-69 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0.86/0.76/10.4 0.25/0.34/183 89/99/100 4.006666666666667 96.0 61.196666666666665 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_54.sdf 54 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(C#N)CC7)=O)C(C)(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(C#N)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-1-[(2S)-2-[(1-cyanocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 35 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)C#N)=O)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O 76/99/100 91.66666666666669 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_55.sdf 55 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C)=O)C(C)(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)CC1)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxamide 36 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)CC([R2])=O)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 39/77/99 71.66666666666667 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_56.sdf 56 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=C(C2=CC=C([C@@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 37 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O <5/<5/<5 5.0 0 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_57.sdf 57 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C8=CC=C(C9=C(C)N=CS9)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=C(C2=CC=C([C@H](CC(=O)N3CCC(N4CCC(C#CC5=CC=C(C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC=C(C#N)C(Cl)=C7)C6(C)C)C=C5)CC4)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-1-[(2R)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 38 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C(C)(C)C)NC(=O)C4(CC4)F)O <5/<5/<5 5.0 0 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_58.sdf 58 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C(NCCCCCCCCCNC(C[C@H](NC([C@@H]4C[C@@H](O)CN4C([C@@H](C5=CC(C)=NO5)C(C)C)=O)=O)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCNC(=O)C2=CC=C(C(=O)N[C@H]3C(C)(C)[C@H](OC4=CC=C(C#N)C(Cl)=C4)C3(C)C)C=C2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 1-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-N-[9-[[(3S)-3-[[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]amino]nonyl]benzene-1,4-dicarboxamide 39 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCCCCCCCNC=O O=C([R1])NCCCCCCCCC[R2] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC(N[R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 43/91/96 76.66666666666667 1 linker/linker_59.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_45.sdf 59 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C(NCCCCCCCCCCNC(C(C=C4)=CC=C4C(N[C@H](C5(C)C)C(C)(C)[C@@H]5OC6=CC=C(C#N)C(Cl)=C6)=O)=O)=CC=C3 CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 1-N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]benzene-1,4-dicarboxamide 40 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCCCCCCCCNC=O O=C([R1])NCCCCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7/20/5 10.666666666666666 0 linker/linker_60.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 60 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(C#CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]piperidin-4-yl]ethynyl]benzamide 41 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN([R2])CC2 O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2/25/20 15.666666666666666 0 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_16.sdf 61 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(OCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 9 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(=O)CO O=C(CO[R2])NCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(=O)CO [R1]CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.3/45.5 24.9 1 linker/linker_62.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 62 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(OCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 9 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(=O)CO O=C(CO[R2])NCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(=O)CO [R1]CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.3/45.5 24.9 1 linker/linker_62.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 63 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(OCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 9 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(=O)CO O=C(CO[R2])NCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(=O)CO [R1]CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.3/45.5 24.9 1 linker/linker_62.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 64 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 10 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(C)=O O=C(C[R2])NCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.5/19.9 11.2 1 linker/linker_65.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 65 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(NCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 10 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(C)=O O=C(C[R2])NCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.5/19.9 11.2 1 linker/linker_65.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 66 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCC(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 10 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCNC(C)=O O=C(C[R2])NCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.5/19.9 11.2 1 linker/linker_65.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 67 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(OCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 11 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCCO [R2]OCCCCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.48/3.9 2.19 1 linker/linker_68.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 68 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(OCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 11 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCCO [R2]OCCCCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.48/3.9 2.19 1 linker/linker_68.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 69 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(OCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 11 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCCO [R2]OCCCCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.48/3.9 2.19 1 linker/linker_68.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 70 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 12 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCC [R1]CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2/1.2 0.7 1 linker/linker_13.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 71 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 12 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCC [R1]CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2/1.2 0.7 1 linker/linker_13.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 72 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 12 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCCC [R1]CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2/1.2 0.7 1 linker/linker_13.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 73 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 13 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.63/3.7 2.165 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 74 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 13 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.63/3.7 2.165 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 75 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 13 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.63/3.7 2.165 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 76 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 14 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 77 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 14 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 78 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 14 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 79 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 15 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.45/5 2.725 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 80 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 15 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.45/5 2.725 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 81 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(NCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 15 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.45/5 2.725 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 82 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(CCC1N(C(C2=C3C(NCCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 16 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.4/9.5 5.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 83 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(CCC1N(C(C2=C3C(NCCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 16 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.4/9.5 5.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 84 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N(C(C2=C3C(NCCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 16 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.4/9.5 5.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 85 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(CCC1N(C(C2=C3C(NCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 17 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.8/68.7 36.75 1 linker/linker_9.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 86 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(CCC1N(C(C2=C3C(NCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 17 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.8/68.7 36.75 1 linker/linker_9.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 87 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N(C(C2=C3C(NCCNC(C4=NC5=C(C6=CC(OC)=C(C=C6N5)C7=C(ON=C7C)C)C(NC8=CC(C9CC9)=NN8CC)=N4)=O)=CC=C2)=O)C3=O)NC1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 17 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.8/68.7 36.75 1 linker/linker_9.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_7.sdf 88 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 18 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.17/2.5 1.335 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 89 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 18 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.17/2.5 1.335 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 90 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 18 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.17/2.5 1.335 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 91 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 19 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.42/5.9 3.16 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 92 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 19 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.42/5.9 3.16 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 93 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 19 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.42/5.9 3.16 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 94 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 20 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 95 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 20 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 96 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(C2=O)C(C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3)=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 20 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCC [R1]CCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.14/2.1 1.12 1 linker/linker_2.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_16.sdf 97 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 21 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.037/1 0.5185 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 98 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 21 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.037/1 0.5185 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 99 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 21 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCC [R1]CCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCC [R1]CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.037/1 0.5185 1 linker/linker_12.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 100 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 22 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.9/5.4 3.1500000000000004 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 101 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(CC2=C3C=CC=C2CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 22 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.9/5.4 3.1500000000000004 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 102 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCOCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCOCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 22 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCOCC [R1]CCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCOCC [R1]CCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.9/5.4 3.1500000000000004 1 linker/linker_92.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 103 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.051/2.2 1.1255000000000002 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 104 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.051/2.2 1.1255000000000002 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 105 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.051/2.2 1.1255000000000002 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 106 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.36/2.2/0.051 0.8703333333333334 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 107 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.36/2.2/0.051 0.8703333333333334 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 108 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1C(NC(CC1)=O)=O)C2)C3=C2C(CCCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)=CC=C3 CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide BETd-260, ZBC260 BETd-260 CCN1N=C(C=C1NC2=NC([R1])=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.36/2.2/0.051 0.8703333333333334 1 linker/linker_104.sdf warhead/warhead_104.sdf e3_ligand/e3_ligand_18.sdf 109 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 24 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.98/13.7 7.34 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 110 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 24 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.98/13.7 7.34 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 111 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 24 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCCC [R1]CCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCCC [R1]CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.98/13.7 7.34 1 linker/linker_7.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 112 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 25 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 9.6/72.3 40.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 113 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(CC2=C3C=CC=C2CCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 25 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 9.6/72.3 40.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 114 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCNC(C4=NC5=C(C(NC6=CC(C7CC7)=NN6CC)=N4)C8=CC(OC)=C(C9=C(C)ON=C9C)C=C8N5)=O)C3=O)C1=O CCN1N=C(C2CC2)C=C1NC1=NC(C(=O)NCCCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NC2=C1C1=CC(OC)=C(C3=C(C)ON=C3C)C=C1[NH]2 4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 25 CCN1N=C(C=C1NC2=NC(C(N[R1])=O)=NC3=C2C4=CC(OC)=C(C=C4N3)C5=C(ON=C5C)C)C6CC6 CCC [R1]CCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC2=C(C3=CC(=C(C=C3N2)C4=C(ON=C4C)C)OC)C(=N1)NC5=CC(=NN5CC)C6CC6 CCC [R1]CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 9.6/72.3 40.95 1 linker/linker_10.sdf warhead/warhead_62.sdf e3_ligand/e3_ligand_18.sdf 115 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCNC(C4=NC5=C(C=N4)C6=CC(OC)=C(C7=C(C)ON=C7C)C=C6N5)=O)C3=O)C1=O COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 27 COC1=CC2=C(NC3=NC(C(N[R1])=O)=NC=C32)C=C1C4=C(ON=C4C)C CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C2C3=CC(=C(C=C3NC2=N1)C4=C(ON=C4C)C)OC CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_2.sdf warhead/warhead_116.sdf e3_ligand/e3_ligand_18.sdf 116 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCNC(C4=NC5=C(C=N4)C6=CC(OC)=C(C7=C(C)ON=C7C)C=C6N5)=O)C3=O)C1=O COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 27 COC1=CC2=C(NC3=NC(C(N[R1])=O)=NC=C32)C=C1C4=C(ON=C4C)C CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C2C3=CC(=C(C=C3NC2=N1)C4=C(ON=C4C)C)OC CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_2.sdf warhead/warhead_116.sdf e3_ligand/e3_ligand_18.sdf 117 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)CCC(N(CC2=C3C=CC=C2CCCCCNC(C4=NC5=C(C=N4)C6=CC(OC)=C(C7=C(C)ON=C7C)C=C6N5)=O)C3=O)C1=O COC1=CC2=C(C=C1C1=C(C)ON=C1C)[NH]C1=NC(C(=O)NCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=NC=C12 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide 27 COC1=CC2=C(NC3=NC(C(N[R1])=O)=NC=C32)C=C1C4=C(ON=C4C)C CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C2C3=CC(=C(C=C3NC2=N1)C4=C(ON=C4C)C)OC CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_2.sdf warhead/warhead_116.sdf e3_ligand/e3_ligand_18.sdf 118 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]triazol-1-yl]ethyl]acetamide 11a CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCN(N=N1)C=C1CO [R1]NCCN1C=C(N=N1)CO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1C=C(CO)N=N1 [R1]NCCN1C=C(N=N1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 490/500 495.0 1 linker/linker_119.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 119 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCCOC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxymethyl]triazol-1-yl]ethyl]acetamide 11b CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCN1N=NC(COCCO)=C1 [R1]NCCN1C=C(N=N1)COCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1C=C(COCCO)N=N1 [R1]NCCN1C=C(N=N1)COCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000/130 2565.0 0 linker/linker_120.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 120 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCCOCCOC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]ethyl]acetamide 11c CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCN1N=NC(COCCOCCO)=C1 [R1]NCCN1C=C(N=N1)COCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1C=C(COCCOCCO)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000/1260 3130.0 0 linker/linker_121.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 121 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCCOCCOCCOC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl]acetamide 11d CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCN1N=NC(COCCOCCOCCO)=C1 [R1]NCCN1C=C(N=N1)COCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1C=C(COCCOCCOCCO)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 450/250 350.0 1 linker/linker_122.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 122 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCCOCCOCCOCCOC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1C=C(COCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethyl]acetamide 11e CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCN1N=NC(COCCOCCOCCOCCO)=C1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1C=C(COCCOCCOCCOCCO)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 200/150 175.0 1 linker/linker_123.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 123 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12a CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCC1=CN(CCN)N=N1 [R1]NCCN(N=N1)C=C1COC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 59/550 304.5 1 linker/linker_124.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 124 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC(NCCN5C=C(N=N5)COCC(N[C@H](C(N6C[C@@H](C[C@H]6C(NCC7=CC=C(C=C7)C8=C(N=CS8)C)=O)O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC([R1])=O NCCN1C=C(N=N1)COC [R1]NCCN1C=C(N=N1)COC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 518 518.0 1 linker/linker_124.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 125 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC(C=C1)=CC=C1C2=N[C@@H](CC(NCCN3N=NC(COCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12b CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCC1=CN(CCN)N=N1 [R1]NCCN(N=N1)C=C1COCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 83/470 276.5 1 linker/linker_126.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 126 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](NC(COCCOCC2=CN(CCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)N=N2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC([R1])=O COCCOCC1=CN(CCN)N=N1 [R1]NCCN1N=NC(COCCOC[R2])=C1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 726 726.0 1 linker/linker_126.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 127 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(COCCOCCOCC1=CN(N=N1)CCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C2=NN=C5C)=O)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12c CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN(N=N1)C=C1COCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 240/1670 955.0 1 linker/linker_128.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 128 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCC2=CN(CCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)N=N2)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC([R1])=O COCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1N=NC(COCCOCCOC[R2])=C1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@@H](NC([R2])=O)C(C)(C)C)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2260 2260.0 0 linker/linker_128.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 129 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(COCCOCCOCCOCC1=CN(N=N1)CCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C2=NN=C5C)=O)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12d CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN(N=N1)C=C1COCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 460/3660 2060.0 0 linker/linker_130.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 130 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCC2=CN(CCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)N=N2)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC([R1])=O COCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1N=NC(COCCOCCOCCOC[R2])=C1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@@H](NC([R2])=O)C(C)(C)C)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_130.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 131 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(COCCOCCOCCOCCOCC1=CN(N=N1)CCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C2=NN=C5C)=O)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12e CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCOCCOCC1=CN(CCN)N=N1 [R2]COCCOCCOCCOCCOCC1=CN(N=N1)CCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 630/2730 1680.0 0 linker/linker_132.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 132 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCOCC2=CN(CCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)N=N2)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC3=CN(CCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[1-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 16 ClC(C=C1)=CC=C1C(C2=C3SC(C)=C2C)=N[C@H](C4=NN=C(N34)C)CC([R1])=O COCCOCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1N=NC(COCCOCCOCCOCCOC[R2])=C1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@@H](NC([R2])=O)C(C)(C)C)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCCOCC1=CN(CCN)N=N1 [R1]NCCN1C=C(N=N1)COCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_132.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 133 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(OCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 27 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CO [R1]CO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CO [R1]CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.81/19.7/311 117.17 1 linker/linker_134.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 134 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(OCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 27 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CO [R1]CO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CO [R1]CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.81/19.7/311 117.17 1 linker/linker_134.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 135 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(OCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 27 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CO [R1]CO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CO [R1]CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.81/19.7/311 117.17 1 linker/linker_134.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 136 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 28 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.379/0.47/2.23 1.026333333333333 1 linker/linker_9.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 137 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 28 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.379/0.47/2.23 1.026333333333333 1 linker/linker_9.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 138 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 28 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CC [R1]CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.379/0.47/2.23 1.026333333333333 1 linker/linker_9.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 139 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2 BD-764 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 NCC [R1]CCN[R2] O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCN [R1]CCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_140.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 140 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2 BD-764 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 NCC [R1]CCN[R2] O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCN [R1]CCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_140.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 141 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[2-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2 BD-764 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 NCC [R1]CCN[R2] O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCN [R1]CCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 0.2 1 linker/linker_140.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 142 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 29 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.038/0.138/0.56 0.2453333333333333 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 143 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 29 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.038/0.138/0.56 0.2453333333333333 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 144 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 29 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.038/0.138/0.56 0.2453333333333333 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 145 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 30 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.0654/0.19 0.0917999999999999 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 146 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 30 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.0654/0.19 0.0917999999999999 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 147 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 30 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.0654/0.19 0.0917999999999999 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 148 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 31 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.092/0.19 0.1006666666666666 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 149 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 31 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.092/0.19 0.1006666666666666 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 150 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(NCCCCCN4C=C(C#CC5=C(CC6=CC=CC=C6)C(COCC7=NN=C(C)N78)=C8S5)C=N4)=C3C1=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 31 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.02/0.092/0.19 0.1006666666666666 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_7.sdf 151 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C1C2=CC=CC(NCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 32 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.025/0.035/0.51 0.19 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 152 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C1C2=CC=CC(NCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 32 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.025/0.035/0.51 0.19 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 153 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1C2=CC=CC(NCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]propylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 32 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCC [R1]CCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.025/0.035/0.51 0.19 1 linker/linker_10.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 154 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C1C2=CC=CC(NCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=C3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12 3-[7-[4-[3-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrrol-1-yl]butylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 33 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.0012/0.051/0.18 0.0774 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 155 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C1C2=CC=CC(NCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=C3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12 3-[7-[4-[3-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrrol-1-yl]butylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 33 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.0012/0.051/0.18 0.0774 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 156 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1C2=CC=CC(NCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=C3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=C3CC3=CC=CC=C3)N12 3-[7-[4-[3-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrrol-1-yl]butylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 33 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCC [R1]CCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.0012/0.051/0.18 0.0774 1 linker/linker_7.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_17.sdf 157 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C1C2=CC=CC(CCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 34 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.081/0.14/0.53 0.2503333333333333 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 158 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C1C2=CC=CC(CCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 34 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.081/0.14/0.53 0.2503333333333333 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 159 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1C2=CC=CC(CCCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pentyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 34 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.081/0.14/0.53 0.2503333333333333 1 linker/linker_2.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 160 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C1C2=CC=CC(C#CCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 35 QCA570 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.032/0.0083/0.062 0.0341 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 161 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C1C2=CC=CC(C#CCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 35 QCA570 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.032/0.0083/0.062 0.0341 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 162 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1C2=CC=CC(C#CCCCN3C=C(C#CC4=C(CC5=CC=CC=C5)C(COCC6=NN=C(C)N67)=C7S4)C=N3)=C2CN1C8C(NC(CC8)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 3-[7-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 35 QCA570 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.032/0.0083/0.062 0.0341 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_18.sdf 163 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C1C2=CC=CC(C#CCCCN3C=C(C=N3)C#CC4=C(C5=C(S4)N6C(C)=NN=C6COC5)CC7=CC=CC=C7)=C2C(N1C8C(NC(CC8)=O)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 36 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.39/0.72/1.6 0.9033333333333332 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 164 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C1C2=CC=CC(C#CCCCN3C=C(C=N3)C#CC4=C(C5=C(S4)N6C(C)=NN=C6COC5)CC7=CC=CC=C7)=C2C(N1C8C(NC(CC8)=O)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 36 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.39/0.72/1.6 0.9033333333333332 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 165 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1C2=CC=CC(C#CCCCN3C=C(C=N3)C#CC4=C(C5=C(S4)N6C(C)=NN=C6COC5)CC7=CC=CC=C7)=C2C(N1C8C(NC(CC8)=O)=O)=O CC1=NN=C2COCC3=C(SC(C#CC4=CN(CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=C3CC3=CC=CC=C3)N12 4-[5-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]pent-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 36 CC1=NN=C2COCC3=C(N12)SC(C#CC4=CN([R1])N=C4)=C3CC5=CC=CC=C5 C#CCCC [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.39/0.72/1.6 0.9033333333333332 1 linker/linker_19.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 166 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(N=C21)C3=CC=C(C=C3)C4=CN(N=N4)CCOCCOCCOCCOCCNC(CN5C(CN(CC5)C(N6C(C7=CC=C(C=C7OC(C)C)OC)=NC(C6C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)=O)=O)=O)N COC1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCN3C=C(C4=CC=C(N5C=C6C=CC=C(C(N)=O)C6=N5)C=C4)N=N3)C(=O)C2)C(OC(C)C)=C1 2-[4-[1-[2-[2-[2-[2-[2-[[2-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]indazole-7-carboxamide 3 NC(C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)C4=CN([R1])N=N4)=O CCOCCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCOCC[R1] COC1=CC=C(C(OC(C)C)=C1)C2=NC(C(N2C(N3CCN([R2])C(C3)=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]N1C=C(N=N1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCOCCOCCOCCOCCNC(C)=O [R1]CCOCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)OC)OC(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 6550 6550.0 0 linker/linker_167.sdf warhead/warhead_167.sdf e3_ligand/e3_ligand_167.sdf 167 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-343,CRBN-2-2-2-2-VHL TD-343 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCOCCOCCOC [R2]COCCOCCOCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 367.8 367.8 1 linker/linker_168.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 168 Q96SW2 Cereblon CRBN O=C(C(CC1)N2C(C3=C(C2=O)C(NCCCCCCOCCCCCOCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=CC=C3)=O)NC1=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]pentoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CRBN-6-5-5-VHL CRBN-6-5-5-VHL O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCCCCCOCCCCCOCCCC [R2]CCCCOCCCCCOCCCCCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.5 1.5 1 linker/linker_169.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 169 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCOCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6693 SJF-6693 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40.1 40.1 1 linker/linker_1.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 170 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCOCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6693 SJF-6693 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 51.4 51.4 1 linker/linker_1.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 171 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6690 SJF-6690 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCOCC [R1]CCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCOCC [R1]CCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18.8 18.8 1 linker/linker_172.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 172 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6690 SJF-6690 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCOCC [R1]CCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCOCC [R1]CCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 91.7 91.7 1 linker/linker_172.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 173 P08581 Hepatocyte growth factor receptor c-Met MET CC([C@H](NC(CCOCCCOCCCOC(C(OC)=C1)=CC2=C1C(OC(C=C3)=C(F)C=C3NC(C4(CC4)C(NC5=CC=C(F)C=C5)=O)=O)=CC=N2)=O)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)(C)C COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide 7 SJF-8240 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCC [R1]CCCOCCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCC [R1]CCCOCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 66.7 66.7 1 linker/linker_174.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 174 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-8240 SJF-8240 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCC [R1]CCCOCCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCC [R1]CCCOCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 230 230.0 1 linker/linker_174.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 175 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-8240 SJF-8240 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCC [R1]CCCOCCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCC [R1]CCCOCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 210 210.0 1 linker/linker_174.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 176 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-8240 SJF-8240 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCC [R1]CCCOCCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCC [R1]CCCOCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 456 456.0 1 linker/linker_174.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 177 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCCOCCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[4-[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6696, SJFalpha SJF-6696 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCCOCCCCOC [R1]CCCCOCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCCOCCCCOC [R1]CCCCOCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.5 9.5 1 linker/linker_178.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 178 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCCOCCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C8)C8=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 1-N'-[3-fluoro-4-[7-[4-[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6696, SJFalpha SJF-6696 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCCOCCCCOC [R1]CCCCOCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCCOCCCCOC [R1]CCCCOCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1160 1160.0 0 linker/linker_178.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_27.sdf 179 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCOCCOCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[2-[2-[2-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6683, SJFdelta SJF-6683 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 45.9 45.9 1 linker/linker_1.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 180 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCOCCOCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCOCCOCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[2-[2-[2-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]ethoxy]ethoxy]ethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6683, SJFdelta SJF-6683 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 79.2 79.2 1 linker/linker_1.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 181 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCCOCCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[4-[4-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6677 SJF-6677 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCCOCCCC [R1]CCCCOCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 127 127.0 1 linker/linker_182.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 182 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCCOCCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCCOCCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[4-[4-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6677 SJF-6677 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCCOCCCC [R1]CCCCOCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 106 106.0 1 linker/linker_182.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 183 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCOCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[3-[2-[3-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propoxy]ethoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide BES-4612 BES-4612 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCOCCC [R1]CCCOCCOCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCOCCC [R1]CCCOCCOCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 760 760.0 1 linker/linker_184.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 184 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCOCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[3-[2-[3-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propoxy]ethoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide BES-4612 BES-4612 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCOCCC [R1]CCCOCCOCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCOCCC [R1]CCCOCCOCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 1890 1890.0 0 linker/linker_184.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 185 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCCOCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[3-[3-[3-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6685 SJF-6685 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCCC [R1]CCCOCCCOCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCCC [R1]CCCOCCCOCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 304 304.0 1 linker/linker_186.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 186 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 FC1=CC=C(NC(C2(CC2)C(NC3=CC=C(OC4=C(C=C(OC)C(OCCCOCCCOCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](N7C(C(C=CC=C8)=C8C7)=O)C(C)C)=O)=O)C=CC(C9=C(C)N=CS9)=C5)=C%10)C%10=NC=C4)C(F)=C3)=O)=O)C=C1 COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O 1-N'-[3-fluoro-4-[7-[3-[3-[3-[2-[[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]propoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide SJF-6685 SJF-6685 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCCC [R1]CCCOCCCOCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCCC [R1]CCCOCCCOCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 1140 1140.0 0 linker/linker_186.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_180.sdf 187 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCCCCNC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentyl]acetamide SIAIS213110 SIAIS213110 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCCCCN [R1]NCCCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <0.5 6.7/0.9/125.4 0.5 44.333333333333336 1 linker/linker_188.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 188 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCCCCNC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentyl]acetamide SIAIS213110 SIAIS213110 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCCCCN [R1]NCCCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <0.5 6.7/0.9/125.4 0.5 44.333333333333336 1 linker/linker_188.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 189 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCCCCNC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=CC3=C1CN(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentyl]acetamide SIAIS213110 SIAIS213110 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCCCCN [R1]NCCCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <0.5 6.7/0.9/125.4 0.5 44.333333333333336 1 linker/linker_188.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 190 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[3-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6a COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CC [R1]CC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28/50 39.0 0 linker/linker_9.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 191 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[4-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6b COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCC [R1]CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 58/85 71.5 1 linker/linker_10.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 192 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[5-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6c COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39/83/96 72.66666666666667 1 linker/linker_7.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 193 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCCCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[6-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6d COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 58/78 68.0 0 linker/linker_2.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 194 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCCCCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[7-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6e COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23/71 47.0 0 linker/linker_12.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 195 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCCCCCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[8-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6f COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3/9 6.0 0 linker/linker_13.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 196 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[[2-[2-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6g COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCOC [R1]CCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 79/92 85.5 1 linker/linker_197.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 197 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCOCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[3-[2-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6h COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCOCC [R1]CCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25/63/89 59.0 0 linker/linker_14.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 198 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCOCCOCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[3-[2-[2-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6i COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/15/19 11.333333333333334 0 linker/linker_1.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 199 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC1=CC(/C=C(C#N)/C(NCCOCCOCCOCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=CC=C1OCC5=CC=C(C(F)(F)F)C=C5C(F)(F)F COC1=CC(/C=C(\C#N)C(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1OCC1=CC=C(C(F)(F)F)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[[(E)-3-[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6j COC1=CC(/C=C(C(N[R1])=O)\C#N)=CC=C1OCC2=CC=C(C=C2C(F)(F)F)C(F)(F)F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)OC)/C#N CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/4/10 4.666666666666667 0 linker/linker_15.sdf warhead/warhead_191.sdf e3_ligand/e3_ligand_27.sdf 200 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCCNC(C3=CC(OC)=C(NC([C@H]4[C@H](C5=CC=CC(Cl)=C5F)[C@](C6=CC=C(Cl)C=C6F)(C#N)[C@H](CC(C)(C)C)N4)=O)C=C3)=O)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 COC1=CC(C(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-N-[4-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide A1874 A1874 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC 32 46.5/86.3/236 32.0 122.93333333333334 1 linker/linker_201.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_201.sdf 201 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCCOCCCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOCCCOC3=CC=C(NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]propoxy]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide A743 A743 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCCCOCCCOC1=CC=C(N)C=C1 [R1]NC(C=C1)=CC=C1OCCCOCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCOCCCOC1=CC=C(N)C=C1 [R1]NC1=CC=C(C=C1)OCCCOCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23.1 23.1 1 linker/linker_202.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 202 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(OCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate 5 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCO [R1]OCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1487/(n/a) 1487.0 0 linker/linker_203.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 203 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(OCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate 6 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCO [R1]OCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCO [R1]OCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 36.9/398.5 217.7 1 linker/linker_204.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 204 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(COCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-3-yl]pyrazole-4-carboxamide 7 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOC [R1]COCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOC [R1]COCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.8/469.9 245.85 1 linker/linker_205.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 205 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(OCCOCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate 8 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOCCO [R2]CCOCCOCCOCCOCCO[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.5/90.5 47.5 1 linker/linker_206.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 206 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(COCCOCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-3-yl]pyrazole-4-carboxamide 9 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.9/217.7 111.8 1 linker/linker_207.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 207 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(OCCOCCOCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate 10 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.1/37.4 19.25 1 linker/linker_208.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 208 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(OC2=CC=C(C3=NN([C@@H]4CCCN(C(COCCOCCOCCOCCOCCOCCNC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C4)C(N)=C3C(N)=O)C=C2)C=CC(F)=C1 NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)COCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-3-yl]pyrazole-4-carboxamide 11 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOCCOCCOC [R2]CCOCCOCCOCCOCCOCCOC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.7/184.1 96.9 1 linker/linker_209.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 209 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C(C=C2)=CC=C2OC(C=CC(F)=C3)=C3F)=NN1[C@H]4CN(C(OCCOCCOCCOCCOCCOC5=CC6=C(C=C5)C[C@@H](C(N[C@@H]7CCCC8=CC=CC=C78)=O)N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)C6)=O)CCC4)C(N)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOCCOC(=O)N3CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=C(F)C=C6F)C=C5)C(C(N)=O)=C4N)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C 2-[2-[2-[2-[2-[[(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate BC5P BC5P [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N OCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 cIAP1 Q13490 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N OCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 182 182.0 1 linker/linker_210.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_210.sdf 210 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=S(C1=C(NC2=NC(NC3=C(OC(C)C)C=C(C4CCN(CC(NCCOCCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)CC4)C(C)=C3)=NC=C2Cl)C=CC=C1)(C(C)C)=O CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 5 MS4077 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3/34 46 18.5 46.0 1 linker/linker_211.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 211 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=S(C1=C(NC2=NC(NC3=C(OC(C)C)C=C(C4CCN(CC(NCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)CC4)C(C)=C3)=NC=C2Cl)C=CC=C1)(C(C)C)=O CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide 6 MS4078 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCNC(C)=O O=C(C[R1])NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11/59 33 35.0 33.0 1 linker/linker_212.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 212 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3NCC4=CN(CCOCCOCCOC5=CC=C(/C=N/NC(CCCCCCC(NO)=O)=O)C=C5)N=N4)=O)NC1=O O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO N-[(E)-[4-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]-N'-hydroxyoctanediamide 9c dHDAC6 O=C(NO)CCCCCCC(N/N=C/C1=CC=C(C=C1)O[R1])=O CC1=CN(N=N1)CCOCCOCC [R2]CC(N=N1)=CN1CCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)/C=N/NC(=O)CCCCCCC(=O)NO CCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34 34.0 1 linker/linker_213.sdf warhead/warhead_213.sdf e3_ligand/e3_ligand_7.sdf 213 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3NCC4=CN(CCOCCOCCOC5=CC=C(/C=N/NC(CCCCCCC(NO)=O)=O)C=C5)N=N4)=O)NC1=O O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)NO N-[(E)-[4-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methylideneamino]-N'-hydroxyoctanediamide 1 dHDAC6 O=C(NO)CCCCCCC(N/N=C/C1=CC=C(C=C1)O[R1])=O CC1=CN(N=N1)CCOCCOCC [R2]CC(N=N1)=CN1CCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)/C=N/NC(=O)CCCCCCC(=O)NO CCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.12 47.9/73.5 9.12 60.7 1 linker/linker_213.sdf warhead/warhead_213.sdf e3_ligand/e3_ligand_7.sdf 214 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)[C@@H](F)[C@@H](O)C3)=O)=O)=O)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2R,3R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15a CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCN [R2]COCCOCCOCCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3[C@H]([C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)F)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H]([C@@H]([C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 10 10.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_215.sdf 215 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)[C@@H](F)[C@@H](O)C3)=O)=O)=O)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2R,3R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15a CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCN [R2]COCCOCCOCCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3[C@H]([C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)F)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H]([C@@H]([C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 10 10.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_215.sdf 216 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)[C@@H](F)[C@@H](O)C3)=O)=O)=O)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2R,3R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15a CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCN [R2]COCCOCCOCCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3[C@H]([C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)F)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H]([C@@H]([C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 1~3 13.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_215.sdf 217 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)[C@H](F)[C@@H](O)C3)=O)=O)=O)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2R,3S,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15b CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCN [R2]COCCOCCOCCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3[C@@H]([C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)F)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H]([C@H]([C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 3000 3000.0 0 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_218.sdf 218 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@@H](CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)[C@H](F)[C@@H](O)C3)=O)=O)=O)C6=NN=C(C)N6C7=C2C(C)=C(C)S7)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3[C@H](F)[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2R,3S,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15b CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCOCCN [R2]COCCOCCOCCN[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3[C@@H]([C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)F)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H]([C@H]([C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 3000 3000.0 0 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_218.sdf 219 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C=C1)C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCNC4=CC=CC(N=NN5C6CCC(NC6=O)=O)=C4C5=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)N=N4)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]acetamide 21a TD-188 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCOCCOCCOC1=CC=C(N)C=C1 [R1]NC(C=C1)=CC=C1OCCOCCOCC[R2] O=C(N(N=N1)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCOCCOCCOC1=CC=C(N)C=C1 [R1]NC1=CC=C(C=C1)OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(N=N2)C3CCC(=O)NC3=O 3.3 3.3 1 linker/linker_220.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_220.sdf 220 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NC5=CC(OCCOCCOCCNC6=CC=CC(N=NN7C8CCC(NC8=O)=O)=C6C7=O)=CC=C5)=O)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)N=N4)=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-[2-[2-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-5-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]acetamide 21b TD-428 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCOCCOCCOC1=CC=CC(N)=C1 [R1]NC1=CC(OCCOCCOCC[R2])=CC=C1 O=C(N(N=N1)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCOCCOCCOC1=CC=CC(N)=C1 [R1]NC1=CC(=CC=C1)OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(N=N2)C3CCC(=O)NC3=O 0.32 0.32 1 linker/linker_221.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_220.sdf 221 P15056 Serine/threonine-protein kinase B-Raf BRAF BRAF1 RAFB1 COC1=C(/C=C/S(=O)(CC2=CC=C(OC)C(NCC(NCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)=C2)=O)C(OC)=CC(OC)=C1 COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-2-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]anilino]acetamide 2 COC1=CC(OC)=C(C(OC)=C1)/C=C/S(=O)(CC2=CC=C(C(NCC([R1])=O)=C2)OC)=O NCC=O O=C([R2])CN[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)CNC1=C(C=CC(=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OC NCC=O [R1]NCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2700/21210/18700 71.7/81 76.35 14203.333333333334 1 linker/linker_222.sdf warhead/warhead_222.sdf e3_ligand/e3_ligand_7.sdf 222 P15056 Serine/threonine-protein kinase B-Raf BRAF BRAF1 RAFB1 COC1=C(/C=C/S(=O)(CC2=CC=C(OC)C(NC(CCC(NCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)=O)=C2)=O)C(OC)=CC(OC)=C1 COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NC(=O)CCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-N'-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]butanediamide 3 COC1=CC(OC)=C(C(OC)=C1)/C=C/S(=O)(CC2=CC=C(C(N[R1])=C2)OC)=O O=CCCC(=O)NCC=O O=C([R1])CCC(NCC([R2])=O)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC1=C(C=CC(=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OC O=CCCC(=O)NCC=O [R1]C(=O)CCC(=O)NCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6140/36960/11910 18336.666666666668 0 linker/linker_223.sdf warhead/warhead_223.sdf e3_ligand/e3_ligand_7.sdf 223 P15056 Serine/threonine-protein kinase B-Raf BRAF BRAF1 RAFB1 COC1=C(/C=C/S(=O)(CC2=CC=C(OC)C(NC(CCCC(NCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)=O)=C2)=O)C(OC)=CC(OC)=C1 COC1=CC(OC)=C(/C=C/S(=O)(=O)CC2=CC=C(OC)C(NC(=O)CCCC(=O)NCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C(OC)=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-N'-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]pentanediamide 4 COC1=CC(OC)=C(C(OC)=C1)/C=C/S(=O)(CC2=CC=C(C(N[R1])=C2)OC)=O O=CCCCC(=O)NCC=O O=C([R1])CCCC(NCC([R2])=O)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC1=C(C=CC(=C1)CS(=O)(=O)/C=C/C2=C(C=C(C=C2OC)OC)OC)OC O=CCCCC(=O)NCC=O [R1]C(=O)CCCC(=O)NCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38090/46230/14580 32966.666666666664 0 linker/linker_224.sdf warhead/warhead_223.sdf e3_ligand/e3_ligand_7.sdf 224 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide CP-7,YKL-06-102 CP-7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 225 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 12 CP-7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 126 126.0 1 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 226 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide CP-7,YKL-06-102 CP-7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14.3 14.3 1 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 227 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 12 CP-7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13 13.0 1 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 228 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@H]5CN(C(C6=CN(CCOCCOCCOCCNC7=C(C8=CC=C7)C(N(C8=O)C9CCC(NC9=O)=O)=O)N=N6)=O)CCC5)=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C1 4-[2-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione P13I P13I NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@@H]5CCCN([R1])C5 CCOCCOCCOCCN1C=C(C=O)N=N1 O=C([R1])C(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCCOCCN1C=C(C=O)N=N1 [R1]C(=O)C1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.5/6.3/9.2/11.4 8.85 1 linker/linker_229.sdf warhead/warhead_229.sdf e3_ligand/e3_ligand_7.sdf 229 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(OCCCCCOCCCOCC(N[C@H](C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)C(C)(C)C)=O)C=C2)C(C)(C(N1C6=CC=C(C#N)C(C(F)(F)F)=C6)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[5-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]pentoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2b CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C COCCCOCCCCCO [R1]OCCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F COCCCOCCCCCO [R1]OCCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15 15.0 1 linker/linker_230.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 230 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(C3=CC=C(OCCCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)C=C2)C(C)(C(N1C7=CC=C(C#N)C(C(F)(F)F)=C7)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]phenoxy]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2c ARCC-4 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C COCCCCOC1=CC=CC=C1 [R1]C(C=C1)=CC=C1OCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F COCCCCOC1=CC=CC=C1 [R1]C1=CC=C(C=C1)OCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5 150 5.0 150.0 1 linker/linker_231.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 231 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC([C@H](NC(CCCC(N(CC1)CCC1C(C(C)=C2)=CC(OC(C)C)=C2NC3=NC=C(Cl)C(NC(C=CC=C4)=C4S(=O)(C(C)C)=O)=N3)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[5-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6a/TD-004 TD-004 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCCC=O O=C([R1])CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCCC=O [R1]C(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 180/58 119.0 1 linker/linker_232.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_27.sdf 232 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(C)(=O)=O)C1=CC(CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(OCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)=N2)=CC=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-1 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOC [R1]CCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23.2 23.2 1 linker/linker_197.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 233 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(C)(=O)=O)C1=CC(CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(OCCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)=N2)=CC=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-2 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCCOC [R1]CCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCOC [R1]CCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.6 7.6 1 linker/linker_234.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 234 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(C)(=O)=O)C1=CC(CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(OCCOCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)=N2)=CC=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-3 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOCC [R1]CCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 1 linker/linker_14.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 235 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(C1=CC(CNC2=C(C=NC(NC3=CC=C(C=C3)OCCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=N2)C(F)(F)F)=CC=C1)S(C)(=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-4 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCCOCC [R1]CCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCOCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4 4.0 1 linker/linker_92.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 236 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(C1=CC(CNC2=C(C=NC(NC3=CC=C(C=C3)OCCOCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=N2)C(F)(F)F)=CC=C1)S(C)(=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-5 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20.8 20.8 1 linker/linker_1.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 237 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(C1=CC(CNC2=C(C=NC(NC3=CC=C(C=C3)OCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=N2)C(F)(F)F)=CC=C1)S(C)(=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOC3=CC=C(NC4=NC=C(C(F)(F)F)C(NCC5=CC=CC(N(C)S(C)(=O)=O)=C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[2-[2-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-6 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 48.1 48.1 1 linker/linker_238.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_27.sdf 238 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C(CC1)N2C(C3=C(C2=O)C(OCCNC(CCOCCCOC(C=C4)=CC=C4NC5=NC(NCC6=CC=CC(N(S(C)(=O)=O)C)=C6)=C(C=N5)C(F)(F)F)=O)=CC=C3)=O)NC1=O CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]-3-[3-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]propoxy]propanamide PROTAC-8 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCCOCCC(NCCO)=O O=C(NCCO[R2])CCOCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCOCCC(=O)NCCO [R1]CCCOCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8.2 8.2 1 linker/linker_239.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_16.sdf 239 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C(CC1)N2C(C3=C(C2=O)C(OCCNC(CCOCCOCCOC(C=C4)=CC=C4NC5=NC(NCC6=CC=CC(N(S(C)(=O)=O)C)=C6)=C(C=N5)C(F)(F)F)=O)=CC=C3)=O)NC1=O CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCOCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]-3-[2-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]propanamide PROTAC-9 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOCCOCCC(NCCO)=O O=C(NCCO[R2])CCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCC(=O)NCCO [R1]CCOCCOCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 26.7 26.7 1 linker/linker_240.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_16.sdf 240 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C(CC1)N2C(C3=C(C2=O)C(OCCNC(CCOCCOCCOCCOCCOC(C=C4)=CC=C4NC5=NC(NCC6=CC=CC(N(S(C)(=O)=O)C)=C6)=C(C=N5)C(F)(F)F)=O)=CC=C3)=O)NC1=O CN(C1=CC=CC(CNC2=NC(NC3=CC=C(OCCOCCOCCOCCOCCC(=O)NCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1)S(C)(=O)=O N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]-3-[2-[2-[2-[2-[4-[[4-[[3-[methyl(methylsulfonyl)amino]phenyl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide PROTAC-10 CN(S(C)(=O)=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C=C3)O[R1])=NC=C2C(F)(F)F)=C1 CCOCCOCCOCCOCCC(NCCO)=O O=C(NCCO[R2])CCOCCOCCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCOCCC(=O)NCCO [R1]CCOCCOCCOCCOCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <10 10.0 1 linker/linker_241.sdf warhead/warhead_233.sdf e3_ligand/e3_ligand_16.sdf 241 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(NC1=NOC(C(C)(C)C)=C1)NC(C=C2)=CC=C2C3=CN(C(S4)=N3)C5=C4C=C(OCCOCCOCCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C4C(=C3)SC3=NC(C5=CC=C(NC(=O)NC6=NOC(C(C)(C)C)=C6)C=C5)=CN34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]imidazo[2,1-b][1,3]benzothiazol-6-yl]oxyethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC CC(C)(C1=CC(NC(NC2=CC=C(C=C2)C3=CN4C(SC5=CC(O[R1])=CC=C54)=N3)=O)=NO1)C CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC=C(C=C4)NC(=O)NC5=NOC(=C5)C(C)(C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.6 0.6 1 linker/linker_1.sdf warhead/warhead_242.sdf e3_ligand/e3_ligand_27.sdf 242 P04626 Human epidermal growth factor receptor 2 HER2 ERBB2 MLN19 FC1=CC=CC(COC2=CC=C(NC3=NC=NC4=C3C=C(C5=CC=C(OCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)C=C5)C=C4)C=C2Cl)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]phenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 FC1=CC(COC(C(Cl)=C2)=CC=C2NC(C3=C4)=NC=NC3=CC=C4C(C=C5)=CC=C5O[R1])=CC=C1 CCOCCOC [R1]CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 102 102.0 1 linker/linker_243.sdf warhead/warhead_243.sdf e3_ligand/e3_ligand_27.sdf 243 P00533 Epidermal growth factor receptor EGFR ERBB HER1 FC1=CC=CC(COC2=CC=C(NC3=NC=NC4=C3C=C(C5=CC=C(OCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)C=C5)C=C4)C=C2Cl)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]phenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 FC1=CC(COC(C(Cl)=C2)=CC=C2NC(C3=C4)=NC=NC3=CC=C4C(C=C5)=CC=C5O[R1])=CC=C1 CCOCCOC [R1]CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39.2/736.2 102 387.7000000000001 102.0 1 linker/linker_243.sdf warhead/warhead_243.sdf e3_ligand/e3_ligand_27.sdf 244 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC([C@H](NC(CCOCCOCCCCCOC1=CC2=C(C=C1OC)N=CN=C2NC3=CC=C(F)C(Cl)=C3)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)(C)C COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-[3-[2-[5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypentoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3 COC1=CC2=NC=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1O[R1] CCCCCOCCOCC [R1]CCCCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC CCCCCOCCOCC [R1]CCCCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11.7/22.3 17.0 1 linker/linker_245.sdf warhead/warhead_245.sdf e3_ligand/e3_ligand_27.sdf 245 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC([C@H](NC(CCCCCOCCCCOCCCCOC(C=C1N=CN=C(C1=C2)NC3=CC(Cl)=C(C=C3)F)=C2NC(/C=C/CN(C)C)=O)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOCCCCOCCCCOC3=CC4=NC=NC(NC5=CC=C(F)C(Cl)=C5)=C4C=C3NC(=O)/C=C/CN(C)C)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-(dimethylamino)but-2-enoyl]amino]quinazolin-7-yl]oxybutoxy]butoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 CN(C/C=C/C(NC1=CC2=C(N=CN=C2C=C1O[R1])NC3=CC=C(C(Cl)=C3)F)=O)C CCCCOCCCCOCCCCC [R1]CCCCOCCCCOCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN(C)C CCCCCOCCCCOCCCC [R1]CCCCOCCCCOCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 215.8 215.8 1 linker/linker_246.sdf warhead/warhead_246.sdf e3_ligand/e3_ligand_27.sdf 246 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCCCCCOCCOCC(NC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-[2-[6-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]hexoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide MT-540 MT-540 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCCCCCOCCOCC=O O=C([R2])COCCOCCCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCCCOCCOCC=O [R1]CCCCCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 80.6 80.6 1 linker/linker_247.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_7.sdf 247 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCCCOCCCCOCC(NC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCOCCCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide MT-541 MT-541 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCCCOCCCCOCC=O O=C([R2])COCCCCOCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCOCCCCOCC=O [R1]CCCCOCCCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90.1 90.1 1 linker/linker_248.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_7.sdf 248 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCCOCCCOCCC(NC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCOCCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[3-[3-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propoxy]propoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide MT-781 MT-781 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCCOCCCOCCC=O O=C([R2])CCOCCCOCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCCOCCC=O [R1]CCCOCCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 68.3 68.3 1 linker/linker_249.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_7.sdf 249 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CCN(CCOCCOCC(NC6=CC=C7C(C(N(C7=O)C8CCC(NC8=O)=O)=O)=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide MT-802 MT-802 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOCC=O O=C([R2])COCCOCC[R1] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.2 6.2 1 linker/linker_250.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_250.sdf 250 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CCN(CCOCCOCC(NC6=CC=C7C(C(N(C7=O)C8CCC(NC8=O)=O)=O)=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide MT-802 MT-802 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOCC=O O=C([R2])COCCOCC[R1] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.1/14.6 11.85 1 linker/linker_250.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_250.sdf 251 Q06187 Bruton's tyrosine kinase C481S BTK C481S NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CCN(CCOCCOCC(NC6=CC=C7C(C(N(C7=O)C8CCC(NC8=O)=O)=O)=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide MT-802 MT-802 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOCC=O O=C([R2])COCCOCC[R1] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 14.9 14.9 1 linker/linker_250.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_250.sdf 252 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCCCOCCCCOCC(NC6=CC=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=C6)=O)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCCCOCCCCOCC(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide MT-809 MT-809 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCCCOCCCCOCC=O O=C([R2])COCCCCOCCCC[R1] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCOCCCCOCC=O [R1]CCCCOCCCCOCC(=O)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11.6 11.6 1 linker/linker_248.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_250.sdf 253 O15264 Mitogen-activated protein kinase 13 p38delta MAPK13 PRKM13 COC1=CC(C(OC(C=CC(NC(C2(C(NC3=CC=C(C=C3)F)=O)CC2)=O)=C4)=C4F)=CC=N5)=C5C=C1OCCCOCCCOCCC(NCCOC6=CC=CC(C(N7C8CCC(NC8=O)=O)=O)=C6C7=O)=O COC1=CC2=C(OC3=CC=C(NC(=O)C4(C(=O)NC5=CC=C(F)C=C5)CC4)C=C3F)C=CN=C2C=C1OCCCOCCCOCCC(=O)NCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide 2 SJF-8242 COC1=CC2=C(C=CN=C2C=C1O[R1])OC3=CC=C(C=C3F)NC(C4(CC4)C(NC5=CC=C(C=C5)F)=O)=O CCCOCCCOCCC(NCCO)=O O=C(NCCO[R2])CCOCCCOCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F CCCOCCCOCCC(=O)NCCO [R1]CCCOCCCOCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 27 27.0 1 linker/linker_254.sdf warhead/warhead_170.sdf e3_ligand/e3_ligand_16.sdf 254 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCCCCCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=C2OC(C6=CC=CC=C6)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1 6-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide 8a O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CCCCCC=O O=C([R2])CCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_255.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 255 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCCCCCCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=C2OC(C6=CC=CC=C6)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1 7-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide 8b O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CCCCCCC=O O=C([R2])CCCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90000 90000.0 0 linker/linker_256.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 256 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCCCCCCCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=C2OC(C6=CC=CC=C6)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1 8-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 8c O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 41000 41000.0 0 linker/linker_257.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 257 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCCCCCCCCCC(NC3=C(C4=CC=C3)C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=C2OC(C6=CC=CC=C6)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCCCOC4=C(O)C=C(O)C5=C4OC(C4=CC=CC=C4)=CC5=O)=C3C2=O)C(=O)N1 10-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxy-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide 8d O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 40000 40000.0 0 linker/linker_258.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 258 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCC3=CN(CCCCCC(NC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)=C2OC(C7=CC=CC=C7)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1 6-[4-[(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide 11a O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CC1=CN(CCCCCC=O)N=N1 O=C([R2])CCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_259.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 259 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCC3=CN(CCCCCCC(NC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)=C2OC(C7=CC=CC=C7)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1 7-[4-[(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide 11b O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CC1=CN(CCCCCCC=O)N=N1 O=C([R2])CCCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CC1=CN(CCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15000 15000.0 0 linker/linker_260.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 260 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCC3=CN(CCCCCCCC(NC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)=C2OC(C7=CC=CC=C7)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1 8-[4-[(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 11c O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CC1=CN(CCCCCCCC=O)N=N1 O=C([R2])CCCCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CC1=CN(CCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 17000 17000.0 0 linker/linker_261.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 261 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C1C2=C(O)C=C(O)C(OCC3=CN(CCCCCCCCCC(NC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)=C2OC(C7=CC=CC=C7)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCCCCCCN4C=C(COC5=C(O)C=C(O)C6=C5OC(C5=CC=CC=C5)=CC6=O)N=N4)=C3C2=O)C(=O)N1 10-[4-[(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide 11d O=C1C=C(OC2=C(C(O)=CC(O)=C12)O[R1])C3=CC=CC=C3 CC1=CN(CCCCCCCCCC=O)N=N1 O=C([R2])CCCCCCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O CC1=CN(CCCCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38000 38000.0 0 linker/linker_262.sdf warhead/warhead_255.sdf e3_ligand/e3_ligand_7.sdf 262 Q92830 General control nonderepressible 5 GCN5 KAT2A GCN5L2 O=C(C(CC1)N2C(C3=C(OCCCC4=CC=C(N(C)CCCN(C)C(C5=CC=C([C@@H]6CN(C)C[C@H](NC7=C(Br)C(N(C)N=C7)=O)C6)C=C5)=O)C=C4)C=CC=C3C2=O)=O)NC1=O CN1C[C@H](NC2=C(Br)C(=O)N(C)N=C2)C[C@H](C2=CC=C(C(=O)N(C)CCCN(C)C3=CC=C(CCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)C1 4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]-N-[3-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]-N-methylanilino]propyl]-N-methylbenzamide GSK699 GSK699 CN1C[C@@H](C[C@@H](C1)C2=CC=C([R1])C=C2)NC3=C(C(N(N=C3)C)=O)Br CN(C=O)CCCN(C)C1=CC=C(CCCO)C=C1 CN(CCCN(C1=CC=C(C=C1)CCCO[R2])C)C([R1])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2C[C@H](CN(C2)C)NC3=C(C(=O)N(N=C3)C)Br CN(C=O)CCCN(C)C1=CC=C(CCCO)C=C1 [R1]C(=O)N(C)CCCN(C)C1=CC=C(C=C1)CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <3 3.0 1 linker/linker_263.sdf warhead/warhead_263.sdf e3_ligand/e3_ligand_16.sdf 263 Q92831 P300/CBP-associated factor PCAF KAT2B O=C(C(CC1)N2C(C3=C(OCCCC4=CC=C(N(C)CCCN(C)C(C5=CC=C([C@@H]6CN(C)C[C@H](NC7=C(Br)C(N(C)N=C7)=O)C6)C=C5)=O)C=C4)C=CC=C3C2=O)=O)NC1=O CN1C[C@H](NC2=C(Br)C(=O)N(C)N=C2)C[C@H](C2=CC=C(C(=O)N(C)CCCN(C)C3=CC=C(CCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C=C2)C1 4-[(3R,5R)-5-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpiperidin-3-yl]-N-[3-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]-N-methylanilino]propyl]-N-methylbenzamide GSK699 GSK699 CN1C[C@@H](C[C@@H](C1)C2=CC=C([R1])C=C2)NC3=C(C(N(N=C3)C)=O)Br CN(C=O)CCCN(C)C1=CC=C(CCCO)C=C1 CN(CCCN(C1=CC=C(C=C1)CCCO[R2])C)C([R1])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2C[C@H](CN(C2)C)NC3=C(C(=O)N(N=C3)C)Br CN(C=O)CCCN(C)C1=CC=C(CCCO)C=C1 [R1]C(=O)N(C)CCCN(C)C1=CC=C(C=C1)CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <1.5 1.5 1 linker/linker_263.sdf warhead/warhead_263.sdf e3_ligand/e3_ligand_16.sdf 264 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.43/7.45/2.4 3.4266666666666663 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 265 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.43/7.45/2.4 3.4266666666666663 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 266 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.43/7.45/2.4 3.4266666666666663 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 267 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5/<5 <1 5.0 1.0 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 268 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5/<5 <1 5.0 1.0 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 269 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O)=O)=O)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ARV-771 ARV-771 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCCOC [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5/<5 <1 5.0 1.0 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 270 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.05/18.2/3.3 7.516666666666667 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 271 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.05/18.2/3.3 7.516666666666667 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 272 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.05/18.2/3.3 7.516666666666667 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 273 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide 11 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6 6.0 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 274 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide 11 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.8 0.8 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 275 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <1/<1 1.0 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 276 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.57 0.57 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 277 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide 11 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6/1 0.8 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 278 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 ClC1=CC=C(C2=N[C@@H](CC(NC3=CC=C(OCCOCCOCCOCCNC4=C(C5=CC=C4)C(N(C5=O)C6CCC(NC6=O)=O)=O)C=C3)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8)C=C1 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]acetamide ARV-825 ARV-825 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(NC5=CC=C(C=C5)O[R1])=O)S1)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)NC(=O)C[C@H]2C3=NN=C(N3C4=C(C(=C(S4)C)C)C(=N2)C5=CC=C(C=C5)Cl)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.31 0.31 1 linker/linker_15.sdf warhead/warhead_271.sdf e3_ligand/e3_ligand_7.sdf 279 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1(4) dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78.8/657 367.9 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 280 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1(4) dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78.8/657 367.9 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 281 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1(4) dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78.8/657 367.9 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 282 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/140/79 87.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 283 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/140/79 87.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 284 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/140/79 87.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 285 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 115.3/11.5/863.7 330.1666666666667 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 286 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 115.3/11.5/863.7 330.1666666666667 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 287 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 115.3/11.5/863.7 330.1666666666667 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 288 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1(4) dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 430 430.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 289 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 500/1000 750.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 290 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.27/2.9 4.085 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 291 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 230 230.0 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 292 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide 1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11.8/2469 70.6/70.4/84.8/79.4/72.8 75.60000000000001 1240.4 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 293 Q15059 Bromodomain-containing protein 3 Bromodomain 2 BRD3 BD2 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide 1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5300/880/12300 6160.0 0 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 294 P25440 Bromodomain-containing protein 2 Bromodomain 1 BRD2 BD1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide 1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16060/19800 45.2/55.7/53.8/50.7/46.8 50.44 17930.0 0 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 295 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(OCC(NCCCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C(C=C7)=CC=C7Cl)=O)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]acetamide dBET1 dBET1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCNC(=O)CO O=C(CO[R2])NCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 141/13 0/13/46 19.666666666666668 77.0 0 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 296 P11474 Estrogen-related receptor alpha ERRalpha NR3B1 ERR1 COC(C=C(/C=C1C(N(CCOCCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)C(S/1)=O)=O)C=C5)=C5OC6=CC=C(C#N)C=C6C(F)(F)F COC1=CC(/C=C2\SC(=O)N(CCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C2=O)=CC=C1OC1=CC=C(C#N)C=C1C(F)(F)F (2S,4R)-1-[(2S)-2-[3-[2-[(5Z)-5-[[4-[4-cyano-2-(trifluoromethyl)phenoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC_ERRalpha COC1=CC(/C=C2SC(N([R1])C\2=O)=O)=CC=C1OC3=CC=C(C=C3C(F)(F)F)C#N CCOCC [R1]CCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1C(=O)/C(=C/C2=CC(=C(C=C2)OC3=C(C=C(C=C3)C#N)C(F)(F)F)OC)/SC1=O CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100 100.0 1 linker/linker_14.sdf warhead/warhead_297.sdf e3_ligand/e3_ligand_27.sdf 297 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CC([C@H](NC(COCCOCCOCCOCCOC1=CC2=NC=CC(NC3=CC(N=CS4)=C4C=C3)=C2C=C1S(C(C)(C)C)(=O)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC_RIPK2 CC(C)(S(=O)(C1=CC2=C(C=CN=C2C=C1O[R1])NC3=CC=C4SC=NC4=C3)=O)C CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.4 1.4 1 linker/linker_205.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_27.sdf 298 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CC([C@H](NC(COCCOCCOCCOCCOC1=CC2=NC=CC(NC3=CC(N=CS4)=C4C=C3)=C2C=C1S(C(C)(C)C)(=O)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC_RIPK2 CC(C)(S(=O)(C1=CC2=C(C=CN=C2C=C1O[R1])NC3=CC=C4SC=NC4=C3)=O)C CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2 2.0 1 linker/linker_205.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_27.sdf 299 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC([C@H](NC(COCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 MZ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40 40.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 300 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC([C@H](NC(COCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 MZ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100 100.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 301 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC([C@H](NC(COCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 MZ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/3 5.5 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 302 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC([C@H](NC(COCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 17 MZ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40 40.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 303 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC([C@H](NC(COCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 41 MZ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 250 250.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 304 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC([C@H](NC(COCCOCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 MZ2 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOCCOC [R1]NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200 200.0 1 linker/linker_305.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 305 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC([C@H](NC(COCCOCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 MZ2 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOCCOC [R1]NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 316 316.0 1 linker/linker_305.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 306 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC([C@H](NC(COCCOCCOCCOCCNC(C[C@@H](C1=NN=C(C)N1C2=C3C(C)=C(C)S2)N=C3C(C=C4)=CC=C4Cl)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 MZ2 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCOCCOC [R1]NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4/10 7.0 1 linker/linker_305.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 307 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(CC1)N2C(C3=C(C=CC=C3C2=O)OCC(NCCCCCCCCNC(C[C@H](N=C4C5=CC=C(Cl)C=C5)C6=NN=C(N6C7=C4C(C)=C(S7)C)C)=O)=O)=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide dBET6 dBET6 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCCCCCNC(=O)CO O=C(CO[R2])NCCCCCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCCCCNC(=O)CO [R1]NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10/50 30.0 1 linker/linker_308.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 308 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(CC1)N2C(C3=C(C=CC=C3C2=O)OCC(NCCCCCCCCNC(C[C@H](N=C4C5=CC=C(Cl)C=C5)C6=NN=C(N6C7=C4C(C)=C(S7)C)C)=O)=O)=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)COC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]acetamide dBET6 dBET6 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCCCCCCCNC(=O)CO O=C(CO[R2])NCCCCCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCCCCNC(=O)CO [R1]NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6 6.0 1 linker/linker_308.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 309 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(CC1)N2C(C3=C(C=CC=C3C2=O)OCC(NCCCCCCCCNC(C(S4)=C(C)C5=C4N6C(C)=NN=C6[C@@H](N=C5C7=CC=C(Cl)C=C7)CC(OC)=O)=O)=O)=O)NC1=O COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12 methyl 2-[(9S)-7-(4-chlorophenyl)-4-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octylcarbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate dBET23 dBET23 COC(C[C@@H]1N=C(C2=C(N3C(C)=NN=C13)SC(C([R1])=O)=C2C)C4=CC=C(C=C4)Cl)=O NCCCCCCCCNC(=O)CO O=C(CO[R2])NCCCCCCCCN[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(S1)N3C(=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(=O)OC)C)C NCCCCCCCCNC(=O)CO [R1]NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 50/>1000 525.0 1 linker/linker_308.sdf warhead/warhead_310.sdf e3_ligand/e3_ligand_16.sdf 310 O60885 Bromodomain-containing protein 4 Bromodomain 1 BRD4 BD1 O=C(N1)C(N2C(C3=C(NCCNC(C[C@@H](C4=NN=C(C)N4C5=C6C(C)=C(C)S5)N=C6C7=CC=C(C=C7)Cl)=O)C=CC=C3C2=O)=O)CCC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide dBET57 dBET57 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCC [R1]NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCN [R1]NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_140.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_7.sdf 311 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1)C(N2C(C3=C(NCCCCCCCCNC(C(SC4=C5C(C6=CC=C(C=C6)Cl)=N[C@@H](CC(OC)=O)C7=NN=C(C)N47)=C5C)=O)C=CC=C3C2=O)=O)CCC1=O COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12 methyl 2-[(9S)-7-(4-chlorophenyl)-4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylcarbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate dBET70 dBET70 COC(C[C@@H]1N=C(C2=C(N3C(C)=NN=C13)SC(C([R1])=O)=C2C)C4=CC=C(C=C4)Cl)=O NCCCCCCCC [R1]NCCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(S1)N3C(=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(=O)OC)C)C CCCCCCCCN [R1]NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5/5 5.0 1 linker/linker_312.sdf warhead/warhead_310.sdf e3_ligand/e3_ligand_7.sdf 312 O60885 Bromodomain-containing protein 4 Bromodomain 1 BRD4 BD1 O=C(N1)C(N2C(C3=CC=CC(NCCCCCNC(C(SC4=C5C(C6=CC=C(C=C6)Cl)=N[C@@H](CC(OC)=O)C7=NN=C(C)N47)=C5C)=O)=C3C2=O)=O)CCC1=O COC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2C)N2C(C)=NN=C12 methyl 2-[(9S)-7-(4-chlorophenyl)-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylcarbamoyl]-5,13-dimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate ZXH-3-26 ZXH-3-26 COC(C[C@@H]1N=C(C2=C(N3C(C)=NN=C13)SC(C([R1])=O)=C2C)C4=CC=C(C=C4)Cl)=O NCCCCC [R1]NCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(S1)N3C(=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC(=O)OC)C)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_188.sdf warhead/warhead_310.sdf e3_ligand/e3_ligand_7.sdf 313 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(C#C)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N C#CC1=CC=C([C@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-(4-ethynylphenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 2 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] C#CC1=CC=C(C=C1)[C@@H](NC([C@@H]2C[C@H](CN2C([C@H](C(C)C)C3=CC(C)=NO3)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C#C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 68/>95/>99 87.33333333333333 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_314.sdf 314 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(C#N)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(C#N)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-(4-cyanophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 3 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C#N)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C#N)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 81/>95/>99 91.66666666666669 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_315.sdf 315 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(Br)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(Br)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-(4-bromophenyl)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 4 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)Br)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Br)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 45/76/>95 72.0 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_316.sdf 316 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(Cl)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(Cl)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 5 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)Cl)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 85/>95/>99 93.0 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_317.sdf 317 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=C(F)C=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=C(F)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 6 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)F)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 92/>95/>99 95.33333333333331 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_318.sdf 318 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@H](C(C)C)C7=CC(C)=NO7)=O)=O)C8=CC=CC=C8)=O)CC5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 7 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 62/72/>99 77.66666666666667 1 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 319 P10275 Androgen receptor AR DHTR NR3C4 O=C([C@@H]1C[C@@H](O)CN1C([C@H](C(C)C)NC(C)=O)=O)N[C@@H](CC(N(CC2)CCC2N(CC3)CCC3C#CC(C=C4)=CC=C4C(N[C@H](C5(C)C)C(C)(C)[C@@H]5OC6=CC=C(C#N)C(Cl)=C6)=O)=O)C7=CC=CC=C7 CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)CC1)C1=CC=CC=C1)C(C)C (2S,4R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[(1S)-3-[4-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxypyrrolidine-2-carboxamide 8 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(C2CCNCC2)CC1 [R2]N(CC1)CCC1N(CC2)CCC2C#C[R1] CC(N[C@@H](C(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=CC=C2)CC([R2])=O)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CCNCC2)CC1 [R1]C#CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)C)O 8/11/17 12.0 0 linker/linker_48.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_320.sdf 320 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=CC=C8)=O)CC5)C4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[3-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]azetidin-1-yl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 9 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CN(C1)C2CCNCC2 [R1]C#CC1CN(C1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CN(C2CCNCC2)C1 [R1]C#CC1CN(C1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 6/68/86 53.333333333333336 0 linker/linker_321.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 321 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C5CN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@@H](C7=CC(C)=NO7)C(C)C)=O)=O)C8=CC=CC=C8)=O)C5)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CC(N3CCC(C#CC4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)CC3)C2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]azetidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 10 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCN(CC1)C2CNC2 [R1]C#CC1CCN(CC1)C2CN([R2])C2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCN(C2CNC2)CC1 [R1]C#CC1CCN(CC1)C2CN(C2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 21/67/68 52.0 0 linker/linker_322.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 322 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@H](C(C)C)C6=CC(C)=NO6)=O)=O)C7=CC=CC=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide ARD-266 ARD-266 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 0.5/1/0.2 2/6 90/>95/>99 0.5666666666666667 94.66666666666669 4.0 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 323 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CC(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@H](C(C)C)C7=CC(C)=NO7)=O)=O)C8=CC=CC=C8)=O)CC5)C4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C3CN(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[1-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 12 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(C2CCNCC2)CNC1 [R1]N(C1)CC1C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC(C2CNC2)CCN1 [R1]N1CC(C1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 48/>95/>99 80.66666666666667 1 linker/linker_324.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 324 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C4CN(C5CCN(C(C[C@H](NC([C@@H]6C[C@@H](O)CN6C([C@H](C(C)C)C7=CC(C)=NO7)=O)=O)C8=CC=CC=C8)=O)CC5)C4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(N3CC(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[3-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-1-yl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 13 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(C2CCNCC2)CCC1 [R1]C1CN(C1)C2CCN([R2])CC2 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CCNCC2)C1 [R1]C1CN(C1)C2CCN(CC2)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 40/>95/>99 78.0 1 linker/linker_325.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 325 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=CC=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 14 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1CCNCC1 [R1]C1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CCNCC1 [R1]C1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 38/>95/>99 77.33333333333333 1 linker/linker_326.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 326 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=CC=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCN(C3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=CC=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 15 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1CCNCC1 [R1]N1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=CC=C3)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CNCCN1 [R1]N1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O <5/>95/>99 66.33333333333333 0 linker/linker_327.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_319.sdf 327 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 16 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C4=C(N=CS4)C)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 56/>95/>99 83.33333333333333 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_47.sdf 328 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@H](C(C)C)C6=CC(C)=NO6)=O)=O)C7=CC=C(F)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(F)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 17 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)F)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 62/>95/>99 85.33333333333333 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_318.sdf 329 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@H](C(C)C)C6=CC(C)=NO6)=O)=O)C7=CC=C(Cl)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(Cl)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-1-(4-chlorophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 18 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)Cl)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 85/>95/>99 93.0 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_317.sdf 330 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(Br)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(Br)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-(4-bromophenyl)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 19 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)Br)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Br)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 31/>95/>99 75.0 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_316.sdf 331 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@@H](C6=CC(C)=NO6)C(C)C)=O)=O)C7=CC=C(C#N)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)C2=CC=C(C#N)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-1-(4-cyanophenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 20 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC1=NOC([C@@H](C(C)C)C(N2C[C@@H](C[C@H]2C(N[C@H](C3=CC=C(C=C3)C#N)CC([R2])=O)=O)O)=O)=C1 VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C#N)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 80/>95/>99 91.33333333333331 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_315.sdf 332 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@H](C(C)C)C6=CC(C)=NO6)=O)=O)C7=CC=C(C#C)C=C7)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N C#CC1=CC=C([C@H](CC(=O)N2CCC(C#CC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)CC2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C=C1 (2S,4R)-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-1-(4-ethynylphenyl)-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 21 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 C#CC1=CC=C(C=C1)[C@@H](NC([C@@H]2C[C@H](CN2C([C@H](C(C)C)C3=CC(C)=NO3)=O)O)=O)CC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C#C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 76/>95/>99 90.0 1 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_314.sdf 333 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(C#CC4CCN(C(C[C@H](NC([C@@H]5C[C@@H](O)CN5C([C@H](C(C)C)NC(C)=O)=O)=O)C6=CC=CC=C6)=O)CC4)C=C3)=O)C2(C)C)=CC=C1C#N CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CC(=O)N1CCC(C#CC2=CC=C(C(=O)N[C@H]3C(C)(C)[C@H](OC4=CC=C(C#N)C(Cl)=C4)C3(C)C)C=C2)CC1)C1=CC=CC=C1)C(C)C (2S,4R)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[(1S)-3-[4-[2-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]ethynyl]piperidin-1-yl]-3-oxo-1-phenylpropyl]-4-hydroxypyrrolidine-2-carboxamide 22 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C#CC1CCNCC1 [R1]C#CC1CCN([R2])CC1 CC(N[C@@H](C(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=CC=C2)CC([R2])=O)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C#CC1CCNCC1 [R1]C#CC1CCN(CC1)[R2] [R2]C(=O)C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)C)O <5/<5/<5 5.0 0 linker/linker_323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_320.sdf 334 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide CP-5,BSJ-03-006 CP-5 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCNC(C)=O O=C(C[R1])NCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_335.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 335 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide CP-5,BSJ-03-006 CP-5 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCNC(C)=O O=C(C[R1])NCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.1 1.1 1 linker/linker_335.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 336 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide CP-6,BSJ-03-007 CP-6 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_337.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 337 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide CP-6,BSJ-03-007 CP-6 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.2 24.2 1 linker/linker_337.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 338 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide CP-8 CP-8 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_167.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 339 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N1)CCC(N(C2=O)C(C3=CC=CC(NCCOCCOCCOCCOCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8CCCC8)C(C(C(C)=O)=C7C)=O)=N6)N=C5)CC4)=O)=C23)=O)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide CP-8 CP-8 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 31 31.0 1 linker/linker_167.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 340 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[2-[2-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-10 CP-10 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCOCC [R1]CC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 10/8 100.0 9.0 1 linker/linker_341.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 341 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[2-[2-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-10 CP-10 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCOCC [R1]CC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.1 10/8 2.1 9.0 1 linker/linker_341.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 342 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCNC5=C6C(N(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[5-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-13 CP-13 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCC [R1]CC(N=N1)=CN1CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_343.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 343 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCNC5=C6C(N(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[5-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-13 CP-13 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCC [R1]CC(N=N1)=CN1CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.3 5.3 1 linker/linker_343.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 344 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCCNC5=C6C(N(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-14 CP-14 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC [R1]CC(N=N1)=CN1CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_345.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 345 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCCNC5=C6C(N(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-14 CP-14 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC [R1]CC(N=N1)=CN1CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.6 10.6 1 linker/linker_345.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 346 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC4=C5C(N(C(C5=CC=C4)=O)C6CCC(NC6=O)=O)=O)CC3)C=N2)N=C1N7C8CCCC8)=C(C(C)=O)C7=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-15 CP-15 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50 50.0 1 linker/linker_1.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 347 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CCOCCOCCNC4=C5C(N(C(C5=CC=C4)=O)C6CCC(NC6=O)=O)=O)CC3)C=N2)N=C1N7C8CCCC8)=C(C(C)=O)C7=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-15 CP-15 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_1.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 348 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCCC5=C6CN(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[7-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hexyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione CP-16 CP-16 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC [R1]CC(N=N1)=CN1CCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >50 50.0 1 linker/linker_345.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_18.sdf 349 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCCC5=C6CN(C(C6=CC=C5)=O)C7CCC(NC7=O)=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCCC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[7-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hexyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione CP-16 CP-16 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC [R1]CC(N=N1)=CN1CCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.7 1.7 1 linker/linker_345.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_18.sdf 350 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCC#CC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hex-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-21 CP-21 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O C#CCCCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCCCC#C[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C C#CCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_351.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 351 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCC#CC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hex-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-21 CP-21 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O C#CCCCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCCCC#C[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C C#CCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 81.6 81.6 1 linker/linker_351.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 352 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCC#CC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[7-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hept-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-22 CP-22 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC#C [R2]C#CCCCCCN1C=C(N=N1)C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C C#CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_353.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 353 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=CN=C(NC2=CC=C(N3CCN(CC4=CN(CCCCCC#CC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)CC3)C=N2)N=C1N8C9CCCC9)=C(C(C)=O)C8=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 4-[7-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]hept-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CP-22 CP-22 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(N=N1)CCCCCC#C [R2]C#CCCCCCN1C=C(N=N1)C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C C#CCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 86.8 86.8 1 linker/linker_353.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 354 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]isoindole-1,3-dione CP-A1 CP-A1 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCN1N=NC(C)=C1 [R2]CCOCCN1C=C(N=N1)C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >500 500.0 1 linker/linker_341.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 355 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethylamino]isoindole-1,3-dione CP-A1 CP-A1 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCN1N=NC(C)=C1 [R2]CCOCCN1C=C(N=N1)C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.6 8.6 1 linker/linker_341.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 356 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A2 CP-A2 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >500 500.0 1 linker/linker_213.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 357 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A2 CP-A2 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 129.7 129.7 1 linker/linker_213.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 358 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A3 CP-A3 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >500 500.0 1 linker/linker_359.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 359 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A3 CP-A3 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 271.9 271.9 1 linker/linker_359.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 360 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A4 CP-A4 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >500 500.0 1 linker/linker_361.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 361 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(CCC1N(C(C2=C(C=CC=C32)NCCOCCOCCOCCOCCN4N=NC(CN5CCN(CC6=CC=C(N=C6)NC7=NC=C(C(C8=CC(F)=C(C9=C8)N=C(N9C(C)C)C)=N7)F)CC5)=C4)=O)C3=O)NC1=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CC6=CN(CCOCCOCCOCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[4-[[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione CP-A4 CP-A4 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCOCCOCCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 145.5 145.5 1 linker/linker_361.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_7.sdf 362 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOC)=O O=C(NCCOCCOCCOC[R2])CC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOC [R1]CCC(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 90/94 92.0 1 linker/linker_363.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 363 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOCCOC)=O O=C(NCCOCCOCCOCCOC[R2])CC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOCCOC [R1]CCC(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 91/96 93.5 1 linker/linker_364.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 364 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)OCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)COC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 5 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I OCC(NCCOCCOCCOC)=O O=C(CO[R1])NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCNC(=O)CO [R1]OCC(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 72/95 83.5 1 linker/linker_365.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 365 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)OCC(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)COC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 11 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I OCC(NCCOCCOCCOCCOC)=O O=C(CO[R1])NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCOCCNC(=O)CO [R1]OCC(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 77/96 86.5 1 linker/linker_366.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 366 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 12 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOC O=C([R1])NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 47/94 70.5 1 linker/linker_367.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 367 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 13 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOCCOC O=C([R1])NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 46/97 71.5 1 linker/linker_368.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 368 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]methylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOC [R1]CNCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOC [R1]CNCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18/48 33.0 0 linker/linker_369.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 369 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNCC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOCCOC [R1]CNCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOCCOC [R1]CNCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 35/48 41.5 0 linker/linker_370.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 370 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOC)=O O=C(C[R1])NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67/91 79.0 1 linker/linker_371.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 371 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C)c5ccc(cc5)c6c(ncs6)C)O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)CC3=CC=C(S(=O)(=O)NC4=C(NC5=CC=C(I)C=C5F)N(C)C(=O)C(C)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOCCOC)=O O=C(C[R1])NCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F COCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 87/96 91.5 1 linker/linker_372.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_23.sdf 372 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzamide 18 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOCC=O O=C([R2])COCCOCCOCCNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 16/39 27.5 0 linker/linker_373.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 373 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzamide 19 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 29/47 38.0 0 linker/linker_374.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 374 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]methylamino]ethoxy]ethoxy]ethoxy]acetamide 20 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOCC=O O=C([R2])COCCOCCOCCNC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOCC=O [R1]CNCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3/38 20.5 0 linker/linker_375.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 375 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 21 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCNC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOCCOCC=O [R1]CNCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 5/57 31.0 0 linker/linker_376.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 376 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetamide 22 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOCC=O)=O O=C(NCCOCCOCCOCC([R2])=O)C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CC(=O)NCCOCCOCCOCC=O [R1]CC(=O)NCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 30/65 47.5 0 linker/linker_377.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 377 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetamide 23 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOCCOCC=O)=O O=C(NCCOCCOCCOCCOCC([R2])=O)C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CC(=O)NCCOCCOCCOCCOCC=O [R1]CC(=O)NCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 23/86 54.5 0 linker/linker_378.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 378 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanamide 24 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOCC=O)=O O=C(NCCOCCOCCOCC([R2])=O)CC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOCC=O [R1]CCC(=O)NCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 8/57 32.5 0 linker/linker_379.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 379 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanamide 25 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOCCOCC=O)=O O=C(NCCOCCOCCOCCOCC([R2])=O)CC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOCCOCC=O [R1]CCC(=O)NCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 33/87 60.0 0 linker/linker_380.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 380 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)OCC(=O)NCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]acetamide 26 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I OCC(NCCOCCOCCOCC=O)=O O=C([R2])COCCOCCOCCNC(CO[R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CCOCCOCCOCCNC(=O)CO [R1]OCC(=O)NCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 41/88 64.5 0 linker/linker_381.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 381 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)OCC(=O)NCCOCCOCCOCCOCC(=O)Nc4cccc5c4CN(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[[2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 27 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I OCC(NCCOCCOCCOCCOCC=O)=O O=C([R2])COCCOCCOCCOCCNC(CO[R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CCOCCOCCOCCOCCNC(=O)CO [R1]OCC(=O)NCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 28/65 46.5 0 linker/linker_382.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_17.sdf 382 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzamide 28 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOCCO O=C([R1])NCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CNCCOCCOCCOCCO [R1]C(=O)NCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45/47 46.0 0 linker/linker_383.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 383 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)C(=O)NCCOCCOCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(C(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]benzamide 29 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I O=CNCCOCCOCCOCCOCCOCCO O=C([R1])NCCOCCOCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=CNCCOCCOCCOCCOCCOCCO [R1]C(=O)NCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16/87 51.5 0 linker/linker_384.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 384 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O 4-[[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]methyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]benzenesulfonamide 30 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOCCOCCOCCO [R1]CNCCOCCOCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOCCOCCOCCO [R1]CNCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57/93 75.0 1 linker/linker_385.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 385 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CNCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CNCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O 4-[[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethylamino]methyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]benzenesulfonamide 31 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CNCCOCCOCCOCCO [R1]CNCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CNCCOCCOCCOCCO [R1]CNCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 14/29 21.5 0 linker/linker_386.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 386 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetamide 32 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CC(=O)NCCOCCOCCOCCO [R1]CC(=O)NCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30/81 55.5 0 linker/linker_387.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 387 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CC(=O)NCCOCCOCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]acetamide 33 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CC(NCCOCCOCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCOCCOCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CC(=O)NCCOCCOCCOCCOCCOCCO [R1]CC(=O)NCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18/89 53.5 0 linker/linker_388.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 388 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanamide 34 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCO[R2])CC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOCCO [R1]CCC(=O)NCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/94 68.0 0 linker/linker_389.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 389 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)CCC(=O)NCCOCCOCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(CCC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenyl]propanamide 35 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I CCC(NCCOCCOCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCOCCOCCO[R2])CC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F CCC(=O)NCCOCCOCCOCCOCCOCCO [R1]CCC(=O)NCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24/90 57.0 0 linker/linker_390.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 390 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 Cc1cc(c(n(c1=O)C)Nc2ccc(cc2F)I)NS(=O)(=O)c3ccc(cc3)OCC(=O)NCCOCCOCCOCCOCCOCCOc4cccc5c4C(=O)N(C5=O)C6CCC(=O)NC6=O CC1=CC(NS(=O)(=O)C2=CC=C(OCC(=O)NCCOCCOCCOCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)=C(NC2=CC=C(I)C=C2F)N(C)C1=O N-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridin-3-yl]sulfamoyl]phenoxy]acetamide 36 CC1=CC(NS(=O)(C2=CC=C([R1])C=C2)=O)=C(N(C1=O)C)NC3=CC=C(C=C3F)I OCC(NCCOCCOCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCOCCOCCO[R2])CO[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(C(=O)C(=C2)C)C)NC3=C(C=C(C=C3)I)F O=C(CO)NCCOCCOCCOCCOCCOCCO [R1]OCC(=O)NCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 55/96 75.5 1 linker/linker_391.sdf warhead/warhead_363.sdf e3_ligand/e3_ligand_16.sdf 391 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 12 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCC#C [R2]C#CCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2630 950 2630.0 950.0 0 linker/linker_19.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 392 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 13 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCC#C [R2]C#CCCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 260 78 260.0 78.0 1 linker/linker_393.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 393 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 14 SD-36 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R2]C#CCCCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 60/28 13/610 44.0 311.5 1 linker/linker_394.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 394 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C(N2)=CC3=C2C=CC(C(F)(F)P(O)(O)=O)=C3)=O)CN(C(CCCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]non-8-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 15 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCCC#C [R2]C#CCCCCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCCC [R1]CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 90 25 90.0 25.0 1 linker/linker_395.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 395 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[11-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]undec-10-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 16 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCCCCC#C [R2]C#CCCCCCCCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCCCCC [R1]CCCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 150 42 150.0 42.0 1 linker/linker_396.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 396 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(CCCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(CCCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 17 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN([R1])C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)=O)=O CCCCCCC#C [R1]CCCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCCC [R1]CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 650/919 147/>100000 784.5 50073.5 1 linker/linker_395.sdf warhead/warhead_397.sdf e3_ligand/e3_ligand_18.sdf 397 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C(N2)=CC3=C2C=CC(C(F)(F)P(O)(O)=O)=C3)=O)CN(C(OCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)OCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoxycarbonyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 18 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O OCCCCC#C [R1]OCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCO [R1]OCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 240/49 128/2370 144.5 1249.0 1 linker/linker_398.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 398 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C(N2)=CC3=C2C=CC(C(F)(F)P(O)(O)=O)=C3)=O)CN(C(NCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)NCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynylcarbamoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 19 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O NCCCCC#C [R2]C#CCCCCN[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCN [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 50/11 91/430 30.5 260.5 1 linker/linker_399.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 399 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(C4=CN(CCCC#CC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)N=C4)=O)CC[C@@H]8N1[C@H](C(N[C@H](C(NC(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CCC(N)=O)=O)CC8 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)C3=CN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]pyrazole-4-carbonyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 20 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O C#CCCCN1C=CC=N1 [R2]C#CCCCN1C=C([R1])C=N1 O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCN1C=CC=N1 [R1]C1=CN(N=C1)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 180 241 180.0 241.0 1 linker/linker_400.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 400 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCN4N=CC(C#CC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)=C4)=O)CC[C@@H]8N1[C@H](C(N[C@H](C(NC(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CCC(N)=O)=O)CC8 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCN3C=C(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=N3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]pyrazol-1-yl]butanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 21 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCN1N=CC(C#C)=C1 [R2]C#CC1=CN(N=C1)CCC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CC1=CN(CCC)N=C1 [R1]CCCN1C=C(C=N1)C#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 250 232 250.0 232.0 1 linker/linker_401.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 401 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(N4CCC(CCC#CC5=CC=CC6=C5CN(C6=O)C7C(NC(CC7)=O)=O)CC4)=O)CC[C@@H]8N1[C@H](C(N[C@H](C(NC(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CCC(N)=O)=O)CC8 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)N3CCC(CCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]piperidine-1-carbonyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 22 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O C#CCCC1CCNCC1 [R1]N(CC1)CCC1CCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCC1CCNCC1 [R1]N1CCC(CC1)CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 180 99 180.0 99.0 1 linker/linker_402.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 402 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C([C@@H]1CC[C@@H](N21)CCN(C(CCN(CC3)CCC3C#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)C[C@H](NC(C(N7)=CC8=C7C=CC(C(F)(F)P(O)(O)=O)=C8)=O)C2=O)N[C@H](C(NC(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CCC(N)=O NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCN3CCC(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]piperidin-1-yl]propanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 23 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCN1CCC(C#C)CC1 [R1]CCN(CC1)CCC1C#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CC1CCN(CC)CC1 [R1]CCN1CCC(CC1)C#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2470 360 2470.0 360.0 0 linker/linker_403.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 403 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C([C@@H]1CC[C@@H](N21)CCN(C(CC(N(CC3)CCC3C#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)=O)C[C@H](NC(C(N7)=CC8=C7C=CC(C(F)(F)P(O)(O)=O)=C8)=O)C2=O)N[C@H](C(NC(C9=CC=CC=C9)C%10=CC=CC=C%10)=O)CCC(N)=O NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CC(=O)N3CCC(C#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]piperidin-1-yl]-3-oxopropanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 24 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CC(N1CCC(C#C)CC1)=O O=C(C[R1])N(CC1)CCC1C#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CC1CCN(C(C)=O)CC1 [R1]CC(=O)N1CCC(CC1)C#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 380 67 380.0 67.0 1 linker/linker_404.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 404 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCCCC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 25 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCCC [R1]CCCCCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 CCCCCCC [R1]CCCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 160 63 160.0 63.0 1 linker/linker_13.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_18.sdf 405 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C(N2)=CC3=C2C=CC(C(F)(F)P(O)(O)=O)=C3)=O)CN(C(CCCCCCNC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 26 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC [R1]CCCCCC[R2] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 90 59 90.0 59.0 1 linker/linker_12.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_17.sdf 406 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4C(N(C5=O)C6C(NC(CC6)=O)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 27 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3540/>10000 582/>10000 6770.0 5291.0 0 linker/linker_394.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_16.sdf 407 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC(CN5C6C(NC(CC6)=O)=O)=C(C=C4)C5=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 28 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(N2CC3=CC([R2])=CC=C3C2=O)C(N1)=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 410 104 410.0 104.0 1 linker/linker_394.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_21.sdf 408 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC(C=C4)=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=C4CN(C5CCC(=O)NC5=O)C(=O)C4=C3)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 29 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(C(F)(P(O)(O)=O)F)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(N2CC3=CC=C([R2])C=C3C2=O)C(N1)=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 360 711 360.0 711.0 1 linker/linker_394.sdf warhead/warhead_392.sdf e3_ligand/e3_ligand_22.sdf 409 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NCC8=CC=CC=C8)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NCC1=CC=CC=C1 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 30 NC(CC[C@@H](C(NCC1=CC=CC=C1)=O)NC([C@@H]2CC[C@@H]3CCN(C[C@@H](C(N23)=O)NC(C4=CC5=CC(C(F)(P(O)(O)=O)F)=CC=C5N4)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC5=CC=CC=C5 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 220/55 210/3240 137.5 1725.0 1 linker/linker_394.sdf warhead/warhead_410.sdf e3_ligand/e3_ligand_18.sdf 410 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(C(F)(F)P(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC)=O)CCC(N)=O)=O)CC7 CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(F)(F)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12 [[2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]-difluoromethyl]phosphonic acid 31 CNC([C@@H](NC([C@@H]1CC[C@@H]2CCN(C[C@@H](C(N12)=O)NC(C3=CC4=CC(C(F)(P(O)(O)=O)F)=CC=C4N3)=O)C([R1])=O)=O)CCC(N)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 640/890 226/>10000 765.0 5113.0 1 linker/linker_394.sdf warhead/warhead_411.sdf e3_ligand/e3_ligand_18.sdf 411 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(OP(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(OP(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl] dihydrogen phosphate 32 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(OP(O)(O)=O)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 >2000 10000.0 2000.0 0 linker/linker_394.sdf warhead/warhead_412.sdf e3_ligand/e3_ligand_18.sdf 412 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(C2=CC(C=C(CP(O)(O)=O)C=C3)=C3N2)=O)CN(C(CCCCCC#CC4=CC=CC5=C4CN(C5=O)C6C(NC(CC6)=O)=O)=O)CC[C@@H]7N1[C@H](C(N[C@H](C(NC(C8=CC=CC=C8)C9=CC=CC=C9)=O)CCC(N)=O)=O)CC7 NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(CP(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indol-5-yl]methylphosphonic acid 33 NC(CC[C@@H](C(NC(C1=CC=CC=C1)C2=CC=CC=C2)=O)NC([C@@H]3CC[C@@H]4CCN(C[C@@H](C(N34)=O)NC(C5=CC6=CC(CP(O)(O)=O)=CC=C6N5)=O)C([R1])=O)=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)C3=CC4=C(N3)C=CC(=C4)CP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C5=CC=CC=C5)C6=CC=CC=C6 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 >2000 10000.0 2000.0 0 linker/linker_394.sdf warhead/warhead_413.sdf e3_ligand/e3_ligand_18.sdf 413 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@@H](NC(/C=C(C2=CC=C(C(F)(F)P(O)(O)=O)C=C2)\C)=O)CN(C(CCCCCC#CC3=CC=CC4=C3CN(C4=O)C5C(NC(CC5)=O)=O)=O)CC[C@@H]6N1[C@H](C(N[C@H](C(NC(C7=CC=CC=C7)C8=CC=CC=C8)=O)CCC(N)=O)=O)CC6 C/C(=C\C(=O)N[C@H]1CN(C(=O)CCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC[C@H]2CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C3=CC=CC=C3)C3=CC=CC=C3)N2C1=O)C1=CC=C(C(F)(F)P(=O)(O)O)C=C1 [[4-[(E)-4-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]amino]-4-oxobut-2-en-2-yl]phenyl]-difluoromethyl]phosphonic acid 34 C/C(C1=CC=C(C=C1)C(F)(P(O)(O)=O)F)=C\C(N[C@H]2CN(CC[C@H]3CC[C@H](N3C2=O)C(N[C@H](C(NC(C4=CC=CC=C4)C5=CC=CC=C5)=O)CCC(N)=O)=O)C([R1])=O)=O CCCCCC#C [R1]CCCCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)/C=C(\C)/C3=CC=C(C=C3)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5 C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4450/>10000 1250/>10000 7225.0 5625.0 0 linker/linker_394.sdf warhead/warhead_414.sdf e3_ligand/e3_ligand_18.sdf 414 Q07820 Protein myeloid cell leukemia 1 MCL1 BCL2L3 O=C(C1=C2C(C(SC3=CC=C(Br)C=C3)=CC=C24)=CC=C1)N(CCNC(CCCCC(NCCCCCCNC5=C6C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C4=O O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N'-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]hexanediamide C3 O=C([R1])CCCCC(NCCN1C(C2=C3C(C1=O)=CC=C(C3=CC=C2)SC4=CC=C(C=C4)Br)=O)=O NCCCCCC [R2]CCCCCCN[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)CCCCC(=O)NCCN1C(=O)C2=C3C(=C(C=C2)SC4=CC=C(C=C4)Br)C=CC=C3C1=O CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 700 700.0 1 linker/linker_415.sdf warhead/warhead_415.sdf e3_ligand/e3_ligand_7.sdf 415 P10415 Apoptosis regulator Bcl-2 BCL2 O=C(C1=C2C(C(SC3=CC=C(Br)C=C3)=CC=C24)=CC=C1)N(CCNC(CCCCC(NCCOCCOCCNC5=C6C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C4=O O=C(CCCCC(=O)NCCN1C(=O)C2=CC=CC3=C(SC4=CC=C(Br)C=C4)C=CC(=C23)C1=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[6-(4-bromophenyl)sulfanyl-1,3-dioxobenzo[de]isoquinolin-2-yl]ethyl]-N'-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]hexanediamide C5 O=C([R1])CCCCC(NCCN1C(C2=C3C(C1=O)=CC=C(C3=CC=C2)SC4=CC=C(C=C4)Br)=O)=O NCCOCCOCC [R2]CCOCCOCCN[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)CCCCC(=O)NCCN1C(=O)C2=C3C(=C(C=C2)SC4=CC=C(C=C4)Br)C=CC=C3C1=O CCOCCOCCN [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3000 3000.0 0 linker/linker_416.sdf warhead/warhead_415.sdf e3_ligand/e3_ligand_7.sdf 416 Q9UM73 Anaplastic lymphoma kinase ALK CD246 COC1=CC(N2CCN(C(CCCCCCC(N[C@H](C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)C(C)(C)C)=O)=O)CC2)=CC=C1NC6=NC=C(Cl)C(NC7=CC=CC=C7P(C)(C)=O)=N6 COC1=CC(N2CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCC O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50 50.0 1 linker/linker_256.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_27.sdf 417 Q9UM73 Anaplastic lymphoma kinase ALK CD246 COC1=CC(N2CCN(C(CCCCCCCC(N[C@H](C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)C(C)(C)C)=O)=O)CC2)=CC=C1NC6=NC=C(Cl)C(NC7=CC=CC=C7P(C)(C)=O)=N6 COC1=CC(N2CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[9-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCC O=C([R1])CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15 15.0 1 linker/linker_257.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_27.sdf 418 Q9UM73 Anaplastic lymphoma kinase ALK CD246 COC1=CC(N2CCN(C(CCCCCCCCC(N[C@H](C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)C(C)(C)C)=O)=O)CC2)=CC=C1NC6=NC=C(Cl)C(NC7=CC=CC=C7P(C)(C)=O)=N6 COC1=CC(N2CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[10-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCCC O=C([R1])CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50 50.0 1 linker/linker_419.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_27.sdf 419 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCC(NC1CCN(C(C=C2OC)=CC=C2NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)CC1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C COC1=CC(N2CCC(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 N-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]octanediamide 15 COC1=CC(N2CCC(CC2)N[R1])=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCC O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.1 9.1 1 linker/linker_256.sdf warhead/warhead_420.sdf e3_ligand/e3_ligand_27.sdf 420 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCCC(NC1CCN(C(C=C2OC)=CC=C2NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)CC1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C COC1=CC(N2CCC(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 N-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]nonanediamide 16 COC1=CC(N2CCC(CC2)N[R1])=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCC O=C([R1])CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20.9 20.9 1 linker/linker_257.sdf warhead/warhead_420.sdf e3_ligand/e3_ligand_27.sdf 421 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCCCC(NC1CCN(C(C=C2OC)=CC=C2NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)CC1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C COC1=CC(N2CCC(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 N-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]decanediamide 17 COC1=CC(N2CCC(CC2)N[R1])=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCCC O=C([R1])CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.2 7.2 1 linker/linker_419.sdf warhead/warhead_420.sdf e3_ligand/e3_ligand_27.sdf 422 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCCCCC(NC1CCN(C(C=C2OC)=CC=C2NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)CC1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C COC1=CC(N2CCC(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 N-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]undecanediamide 18 SIAIS117 COC1=CC(N2CCC(CC2)N[R1])=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCCCC O=C([R1])CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7 1.7/46/259 7.0 102.23333333333332 1 linker/linker_258.sdf warhead/warhead_420.sdf e3_ligand/e3_ligand_27.sdf 423 Q9UM73 Anaplastic lymphoma kinase G1202R ALK G1202R CC(C)([C@H](NC(CCCCCCCCCC(NC1CCN(C(C=C2OC)=CC=C2NC3=NC=C(Cl)C(NC4=CC=CC=C4P(C)(C)=O)=N3)CC1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C COC1=CC(N2CCC(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 N-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]undecanediamide 18 SIAIS117 COC1=CC(N2CCC(CC2)N[R1])=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl O=CCCCCCCCCC O=C([R1])CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <200 146.4 200.0 146.4 1 linker/linker_258.sdf warhead/warhead_420.sdf e3_ligand/e3_ligand_27.sdf 424 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCC(N1CCN(C2CCN(C(C=C3OC)=CC=C3NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)CC2)CC1)=O)=O)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 23 COC1=CC(N2CCC(CC2)N3CCN([R1])CC3)=CC=C1NC4=NC=C(C(NC5=CC=CC=C5P(C)(C)=O)=N4)Cl O=CCCCCCC O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11.4 11.4 1 linker/linker_256.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_27.sdf 425 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCCC(N1CCN(C2CCN(C(C=C3OC)=CC=C3NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)CC2)CC1)=O)=O)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[9-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 COC1=CC(N2CCC(CC2)N3CCN([R1])CC3)=CC=C1NC4=NC=C(C(NC5=CC=CC=C5P(C)(C)=O)=N4)Cl O=CCCCCCCC O=C([R1])CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25.1 25.1 1 linker/linker_257.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_27.sdf 426 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)([C@H](NC(CCCCCCCCC(N1CCN(C2CCN(C(C=C3OC)=CC=C3NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)CC2)CC1)=O)=O)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[[10-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 25 COC1=CC(N2CCC(CC2)N3CCN([R1])CC3)=CC=C1NC4=NC=C(C(NC5=CC=CC=C5P(C)(C)=O)=N4)Cl O=CCCCCCCCC O=C([R1])CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.5 7.5 1 linker/linker_419.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_27.sdf 427 O14965 Aurora kinase A AURKA ARK1 AIK COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1)N1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-12(9) TL13-12 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.3/2.6/95 39.63333333333333 1 linker/linker_337.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 428 Q05397 Focal adhesion kinase FAK PTK2 FAK1 COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1)N1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-12(9) TL13-12 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.3/2.6/95 39.63333333333333 1 linker/linker_337.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 429 P16591 Tyrosine-protein kinase Fer FER TYK3 COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1)N1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-12(9) TL13-12 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.3/2.6/95 39.63333333333333 1 linker/linker_337.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 430 Q15418 Ribosomal protein S6 kinase alpha-1 RPS6KA1 MAPKAPK1A RSK1 COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1)N1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-12(9) TL13-12 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.3/2.6/95 39.63333333333333 1 linker/linker_337.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 431 Q9UM73 Anaplastic lymphoma kinase ALK CD246 COC1=CC(=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1)N1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 COC1=CC(N2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-12(9) TL13-12 COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10/180/50 21.3/2.6/95 80.0 39.63333333333333 1 linker/linker_337.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 432 O14965 Aurora kinase A AURKA ARK1 AIK CC(C)OC1=CC(C2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=C(C)C=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-112(11) TL13-112 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26.4/9.2/374 136.53333333333333 1 linker/linker_337.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 433 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CC(C)OC1=CC(C2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=C(C)C=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-112(11) TL13-112 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26.4/9.2/374 136.53333333333333 1 linker/linker_337.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 434 P16591 Tyrosine-protein kinase Fer FER TYK3 CC(C)OC1=CC(C2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=C(C)C=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-112(11) TL13-112 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26.4/9.2/374 136.53333333333333 1 linker/linker_337.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 435 Q15418 Ribosomal protein S6 kinase alpha-1 RPS6KA1 MAPKAPK1A RSK1 CC(C)OC1=CC(C2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=C(C)C=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-112(11) TL13-112 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26.4/9.2/374 136.53333333333333 1 linker/linker_337.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 436 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(C)OC1=CC(C2CCN(CCOCCOCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=C(C)C=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCOCCOCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide TL13-112(11) TL13-112 CC1=CC(NC2=NC=C(C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)Cl)=C(C=C1C4CCN([R1])CC4)OC(C)C CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10/40/50 26.4/9.2/374 33.333333333333336 136.53333333333333 1 linker/linker_337.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 437 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C(C2C(C3=CC=C(Cl)C=C3)N(C(N4CCN(CC#CC(C=CC=C5C6=O)=C5CN6C(C(N7)=O)CCC7=O)CC4)=O)C(C8=CC=C(C=C8OCC)C(C)(C)C)=N2)C=C1 CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 3-[7-[3-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 20 CCOC1=CC(C(C)(C)C)=CC=C1C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC#C [R1]CC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl C#CC [R1]CC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 7.2 7.2 1 linker/linker_438.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_18.sdf 438 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 ClC1=CC=C(C=C1)[C@@]2([H])[C@@](N(C(C3=CC=C(C(C)(C)C)C=C3OCC)=N2)C(N4CCN(CC4)CC#CC5=C(CN6C(CC7)C(NC7=O)=O)C(C6=O)=CC=C5)=O)([H])C8=CC=C(C=C8)Cl CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 3-[7-[3-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 32 CCOC1=CC(C(C)(C)C)=CC=C1C2=N[C@H]([C@H](N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC#C [R2]C#CC[R1] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)N2[C@@H]([C@@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl C#CC [R1]CC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 23 3.2 23.0 3.2 1 linker/linker_438.sdf warhead/warhead_439.sdf e3_ligand/e3_ligand_18.sdf 439 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC4=CN=C(NC5=CC=C(N6CCN(CCCCCCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)CC6)C=N5)C=C42 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-8-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]octanamide 2 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 45.2 180 45.2 180.0 1 linker/linker_257.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 440 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC4=CN=C(NC5=CC=C(N6CCN(CCCCCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)CC6)C=N5)C=C42 O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-7-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]heptanamide 3 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCCCCC=O O=C([R2])CCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1210 1210.0 0 linker/linker_256.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 441 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC4=CN=C(NC5=CC=C(N6CCN(CCCCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)CC6)C=N5)C=C42 O=C1CCC(N2CC3=C(NC(=O)CCCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]hexanamide 4 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCCCC=O O=C([R2])CCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_255.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 442 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC4=CN=C(NC5=CC=C(N6CCN(CCCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)CC6)C=N5)C=C42 O=C1CCC(N2CC3=C(NC(=O)CCCCN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]pentanamide 5 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCCC=O O=C([R2])CCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_443.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 443 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC1CCN(C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C42)NC5=CC=C(C=N5)N6CCN(CC7=CN(N=N7)CCCCCCCC(NC8=CC=CC9=C8CN(C9=O)C%10C(NC(CC%10)=O)=O)=O)CC6)CC1 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4C=C(CN5CCN(C6=CC=C(NC7=CC8=C(N9CCC(CO)CC9)N=C(NC9=CC=C(F)C=C9)N=C8C=N7)N=C6)CC5)N=N4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-8-[4-[[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]octanamide 6 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 O=CCCCCCCCN1C=C(C)N=N1 O=C([R2])CCCCCCCN(N=N1)C=C1C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CC1=CN(CCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 7910 7910.0 0 linker/linker_261.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 444 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC(CC1)CCN1C2=NC(NC3=CC=C(F)C=C3)=NC4=CN=C(NC5=CC=C(N6CCN(CC(NCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)=O)CC6)C=N5)C=C42 O=C(CN1CCN(C2=CC=C(NC3=CC4=C(N5CCC(CO)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1)NCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[[2-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]acetyl]amino]propanamide 7 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CC(NCCC=O)=O O=C(NCCC([R2])=O)C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CC(=O)NCCC=O [R1]CC(=O)NCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2760 2760.0 0 linker/linker_445.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_17.sdf 445 P00533 Epidermal growth factor receptor EGFR ERBB HER1 FC(C=C1)=CC=C1NC2=NC3=CN=C(NC4=CC=C(N5CCC(N(C)C)CC5)C=N4)C=C3C(N6CCN(CCCCCCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)CC6)=N2 CN(C)C1CCN(C2=CC=C(NC3=CC4=C(N5CCN(CCCCCCCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1 8-[4-[6-[[5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-yl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide 8 CN(C1CCN(CC1)C2=CC=C(N=C2)NC3=CC4=C(N=C(N=C4C=N3)NC5=CC=C(C=C5)F)N6CCN([R1])CC6)C CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC3=CN=C(C=C32)NC4=NC=C(C=C4)N5CCC(CC5)N(C)C)NC6=CC=C(C=C6)F CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1450 1450.0 0 linker/linker_257.sdf warhead/warhead_446.sdf e3_ligand/e3_ligand_17.sdf 446 P00533 Epidermal growth factor receptor EGFR ERBB HER1 FC(C=C1)=CC=C1NC2=NC3=CN=C(NC4=CC=C(N5CCC(N(C)C)CC5)C=N4)C=C3C(N6CCN(CC(NCCC(NC7=CC=CC8=C7CN(C9C(NC(CC9)=O)=O)C8=O)=O)=O)CC6)=N2 CN(C)C1CCN(C2=CC=C(NC3=CC4=C(N5CCN(CC(=O)NCCC(=O)NC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C(NC5=CC=C(F)C=C5)N=C4C=N3)N=C2)CC1 3-[[2-[4-[6-[[5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-yl]amino]-2-(4-fluoroanilino)pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]acetyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide 9 CN(C1CCN(CC1)C2=CC=C(N=C2)NC3=CC4=C(N=C(N=C4C=N3)NC5=CC=C(C=C5)F)N6CCN([R1])CC6)C CC(NCCC=O)=O O=C(NCCC([R2])=O)C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC3=CN=C(C=C32)NC4=NC=C(C=C4)N5CCC(CC5)N(C)C)NC6=CC=C(C=C6)F CC(=O)NCCC=O [R1]CC(=O)NCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4630 4630.0 0 linker/linker_445.sdf warhead/warhead_446.sdf e3_ligand/e3_ligand_17.sdf 447 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C)([C@H](NC(CCCCCCN(CC1)CCN1C(C=N2)=CC=C2NC(C=C34)=NC=C3N=C(NC5=CC=C(C=C5)F)N=C4N6CCC(CC6)CO)=O)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34.8 220 34.8 220.0 1 linker/linker_12.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_27.sdf 448 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C)([C@H](NC(CCCCN(CC1)CCN1C(C=N2)=CC=C2NC(C=C34)=NC=C3N=C(NC5=CC=C(C=C5)F)N=C4N6CCC(CC6)CO)=O)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1490 1490.0 0 linker/linker_7.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_27.sdf 449 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC1CCN(C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C42)NC5=CC=C(C=N5)N6CCN(CCOCCOCCOCCN[C@@H](C(C)(C)C)C(N7C[C@H](O)C[C@H]7C(NCC(C=C8)=CC=C8C(SC=N9)=C9C)=O)=O)CC6)CC1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)N[R2])=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 710/6390/2320 3140.0 0 linker/linker_15.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_450.sdf 450 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC1CCN(C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C42)NC5=CC=C(C=N5)N6CCN(CCOCCOCCN[C@@H](C(C)(C)C)C(N7C[C@H](O)C[C@H]7C(NCC(C=C8)=CC=C8C(SC=N9)=C9C)=O)=O)CC6)CC1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=CC6=C(N7CCC(CO)CC7)N=C(NC7=CC=C(F)C=C7)N=C6C=N5)N=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)N[R2])=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 340/2460 1400.0 0 linker/linker_1.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_450.sdf 451 P00533 Epidermal growth factor receptor EGFR ERBB HER1 OCC1CCN(C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C42)NC5=CC=C(C=N5)N6CCN(CC7=CN(N=N7)CCOCCOCCN[C@@H](C(C)(C)C)C(N8C[C@H](O)C[C@H]8C(NCC(C=C9)=CC=C9C(SC=N%10)=C%10C)=O)=O)CC6)CC1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CN4CCN(C5=CC=C(NC6=CC7=C(N8CCC(CO)CC8)N=C(NC8=CC=C(F)C=C8)N=C7C=N6)N=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[[4-[6-[[2-(4-fluoroanilino)-4-[4-(hydroxymethyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 OCC1CCN(CC1)C2=NC(NC3=CC=C(C=C3)F)=NC4=CN=C(C=C24)NC5=CC=C(C=N5)N6CCN([R1])CC6 CCOCCOCCN1N=NC(C)=C1 [R1]CC(N=N1)=CN1CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)N[R2])=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C3)C(=NC(=N4)NC5=CC=C(C=C5)F)N6CCC(CC6)CO CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1760 1760.0 0 linker/linker_213.sdf warhead/warhead_440.sdf e3_ligand/e3_ligand_450.sdf 452 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide 14a [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCC([R2])=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC O=CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >2000 2000.0 0 linker/linker_453.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_7.sdf 453 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide 14a [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCC([R2])=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC O=CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >2000 2000.0 0 linker/linker_453.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_7.sdf 454 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCCNC([C@H](CC(C)C)NC([C@@H](O)[C@H](N)CC4=CC=CC=C4)=O)=O)=O)OC)N=C1N5C6=CC=CC(NC(C=C)=O)=C6)=CC5=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)CC5)C=C4OC)N=C32)=C1 (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecyl]-4-methylpentanamide 14b [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCCN O=C([R1])CCCCCCCCCCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O >2000 2000.0 0 linker/linker_455.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_455.sdf 455 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCCNC([C@H](CC(C)C)NC([C@@H](O)[C@H](N)CC4=CC=CC=C4)=O)=O)=O)OC)N=C1N5C6=CC=CC(NC(C=C)=O)=C6)=CC5=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC6=CC=CC=C6)CC5)C=C4OC)N=C32)=C1 (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecyl]-4-methylpentanamide 14b [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCCN O=C([R1])CCCCCCCCCCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O >2000 2000.0 0 linker/linker_455.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_455.sdf 456 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCCNC(C4=CC(OC)=C(NC([C@H]5[C@H](C6=C(C(Cl)=CC=C6)F)[C@](C#N)([C@H](CC(C)(C)C)N5)C7=CC=C(Cl)C=C7F)=O)C=C4)=O)=O)OC)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14c [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCCN O=C([R1])CCCCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC 263.8 263.8 1 linker/linker_455.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 457 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCCNC(C4=CC(OC)=C(NC([C@H]5[C@H](C6=C(C(Cl)=CC=C6)F)[C@](C#N)([C@H](CC(C)(C)C)N5)C7=CC=C(Cl)C=C7F)=O)C=C4)=O)=O)OC)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14c [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCCCN O=C([R1])CCCCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_455.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 458 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)CCCCCCCCCCCCNC(C4=CC(OC)=C(NC([C@H]5[C@H](C6=C(C(Cl)=CC=C6)F)[C@](C#N)([C@H](CC(C)(C)C)N5)C7=CC=C(Cl)C=C7F)=O)C=C4)=O)OC)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]dodecylcarbamoyl]phenyl]pyrrolidine-2-carboxamide 14d [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCCCCCN [R1]CCCCCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCCCN [R1]CCCCCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_459.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 459 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)CCCCCCCCCCCCNC(C4=CC(OC)=C(NC([C@H]5[C@H](C6=C(C(Cl)=CC=C6)F)[C@](C#N)([C@H](CC(C)(C)C)N5)C7=CC=C(Cl)C=C7F)=O)C=C4)=O)OC)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]dodecylcarbamoyl]phenyl]pyrrolidine-2-carboxamide 14d [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCCCCCN [R1]CCCCCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCCCN [R1]CCCCCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_459.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 460 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)O)=O)C(C)(C)C)=O)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14e [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCC O=C([R1])CCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 312.9 312.9 1 linker/linker_461.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 461 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)C(CCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)O)=O)C(C)(C)C)=O)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14e [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O O=CCCCCCCCCCC O=C([R1])CCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_461.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 462 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)CCCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)O)=O)C(C)(C)C)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14f [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25.3 25.3 1 linker/linker_36.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 463 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(C=C(C=C2)N3CCN(CC3)CCCCCCCCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)O)=O)C(C)(C)C)=O)OC)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14f [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50.3 50.3 1 linker/linker_36.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 464 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14g [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCCCCCC=O O=C([R1])CCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC 77 77.0 1 linker/linker_465.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 465 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14g [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCCCCCC=O O=C([R1])CCCCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_465.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 466 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14h [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCCCC=O O=C([R1])CCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCC=O [R1]C(=O)CCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_467.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 467 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14h [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCCCC=O O=C([R1])CCCCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCCCC=O [R1]C(=O)CCCCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_467.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 468 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14i [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCC=O O=C([R1])CCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCC=O [R1]C(=O)CCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_469.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 469 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCNC(C4=CC(OC)=C(C=C4)NC([C@H]5[C@@H]([C@]([C@@H](N5)CC(C)(C)C)(C6=CC=C(C=C6F)Cl)C#N)C7=C(F)C(Cl)=CC=C7)=O)=O)=O)CC3)C=C2)N=C1N8C9=CC=CC(NC(C=C)=O)=C9)=CC8=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCNC(=O)C6=CC=C(NC(=O)[C@@H]7N[C@@H](CC(C)(C)C)[C@](C#N)(C8=CC=C(Cl)C=C8F)[C@H]7C7=CC=CC(Cl)=C7F)C(OC)=C6)CC5)C=C4OC)N=C32)=C1 (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-[2-methoxy-4-[[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide 14i [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O NCCCCCC=O O=C([R1])CCCCCN[R2] COC1=CC(C([R2])=O)=CC=C1NC([C@@H]2N[C@H]([C@](C3=CC=C(C=C3F)Cl)([C@H]2C4=CC=CC(Cl)=C4F)C#N)CC(C)(C)C)=O MDM2 Q00987 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC NCCCCCC=O [R1]C(=O)CCCCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC >2000 2000.0 0 linker/linker_469.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_201.sdf 470 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14j [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCC=O O=C([R1])CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 69 69.0 1 linker/linker_419.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 471 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14j [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCC=O O=C([R1])CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_419.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 472 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14k [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCC=O O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 235 235.0 1 linker/linker_256.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 473 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14k [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCC=O O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_256.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 474 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14l [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCC=O O=C([R1])CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_443.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 475 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(C(CCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14l [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCC=O O=C([R1])CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_443.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 476 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14m [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 132 132.0 1 linker/linker_34.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 477 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[10-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14m [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_34.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 478 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14n [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 466 466.0 1 linker/linker_13.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 479 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14n [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_13.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 480 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14o [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5.9 506 5.9 506.0 1 linker/linker_2.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 481 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14o [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 506 2000.0 506.0 0 linker/linker_2.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 482 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[4-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14p [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCC [R1]CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_10.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 483 P00533 Epidermal growth factor receptor EGFR ERBB HER1 CC(C1=CN=C(NC2=C(OC)C=C(N3CCN(CCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)CC3)C=C2)N=C1N7C8=CC=CC(NC(C=C)=O)=C8)=CC7=O C=CC(=O)NC1=CC=CC(N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[4-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14p [R1]N1CCN(CC1)C2=CC(OC)=C(C=C2)NC3=NC=C4C(C)=CC(N(C4=N3)C5=CC=CC(NC(C=C)=O)=C5)=O CCC [R1]CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=CC(=O)N(C4=N3)C5=CC=CC(=C5)NC(=O)C=C)C)OC CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_10.sdf warhead/warhead_453.sdf e3_ligand/e3_ligand_27.sdf 484 P00533 Epidermal growth factor receptor L858R EGFR L858R FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(C(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)C(OC)=C7)C7=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MS39(6) MS39 COC1=CC2=NC=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1OCCCN4CCN([R1])CC4 CCCCCCCCCC=O O=C([R1])CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.3 3.3 1 linker/linker_258.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_27.sdf 485 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(C(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)C(OC)=C7)C7=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MS39(6) MS39 COC1=CC2=NC=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1OCCCN4CCN([R1])CC4 CCCCCCCCCC=O O=C([R1])CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5 5.0 1 linker/linker_258.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_27.sdf 486 P00533 Epidermal growth factor receptor L858R EGFR L858R FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(CCC(NCCCCCCCCOC4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)C(OC)=C7)C7=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-N-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]propanamide MS154(10) MS154 COC1=CC2=NC=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1OCCCN4CCN([R1])CC4 CCC(NCCCCCCCCO)=O O=C(NCCCCCCCCO[R2])CC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC CCC(=O)NCCCCCCCCO [R1]CCC(=O)NCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25 25.0 1 linker/linker_487.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_16.sdf 487 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(CCC(NCCCCCCCCOC4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)C(OC)=C7)C7=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(CCC(=O)NCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-N-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]propanamide MS154(10) MS154 COC1=CC2=NC=NC(NC3=CC=C(C(Cl)=C3)F)=C2C=C1OCCCN4CCN([R1])CC4 CCC(NCCCCCCCCO)=O O=C(NCCCCCCCCO[R2])CC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC CCC(=O)NCCCCCCCCO [R1]CCC(=O)NCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11 11.0 1 linker/linker_487.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_16.sdf 488 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A3 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCC)=O O=C(CCC([R1])=O)NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5950 5950.0 0 linker/linker_489.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 489 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A3 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCC)=O O=C(CCC([R1])=O)NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5950 5950.0 0 linker/linker_489.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 490 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A4 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCC)=O O=C(CCC([R1])=O)NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23320 23320.0 0 linker/linker_491.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 491 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A4 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCC)=O O=C(CCC([R1])=O)NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23320 23320.0 0 linker/linker_491.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 492 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A5 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCCCC)=O O=C(CCC([R1])=O)NCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14560 14560.0 0 linker/linker_493.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 493 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCCCNC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A5 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCCCC)=O O=C(CCC([R1])=O)NCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14560 14560.0 0 linker/linker_493.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_7.sdf 494 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCCCNC(COC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A8 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCC(=O)NCCCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1310 1310.0 0 linker/linker_495.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 495 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCCCCNC(COC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A8 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 O=CCCC(NCCCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCC(=O)NCCCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1310 1310.0 0 linker/linker_495.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 496 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1CCN(CC1)C(COCCOCCNC(COC2=C(C(C(N3C(CC4)C(NC4=O)=O)=O)=CC=C2)C3=O)=O)=O)C5=C(C=NN5)NC(C6=C(C=CC=C6Cl)Cl)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]acetyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A9 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCC(NCCOCCOCC=O)=O O=C([R1])COCCOCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCOCCOCCNC(=O)CO [R1]C(=O)COCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 840 840.0 1 linker/linker_497.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 497 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1CCN(CC1)C(COCCOCCNC(COC2=C(C(C(N3C(CC4)C(NC4=O)=O)=O)=CC=C2)C3=O)=O)=O)C5=C(C=NN5)NC(C6=C(C=CC=C6Cl)Cl)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]acetyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A9 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCC(NCCOCCOCC=O)=O O=C([R1])COCCOCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCOCCOCCNC(=O)CO [R1]C(=O)COCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 840 840.0 1 linker/linker_497.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 498 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCOCCOCCOCCCNC(COC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A10 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCC(NCCCOCCOCCOCCCNC(CCC=O)=O)=O O=C([R1])CCC(NCCCOCCOCCOCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCC(=O)NCCCOCCOCCOCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2020 2020.0 0 linker/linker_499.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 499 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(NC(C2=C(Cl)C=CC=C2Cl)=O)C=NN1)NC3CCN(C(CCC(NCCCOCCOCCOCCCNC(COC4=C(C5=O)C(C(N5C(C(N6)=O)CCC6=O)=O)=CC=C4)=O)=O)=O)CC3 O=C(CCC(=O)N1CCC(NC(=O)C2=C(NC(=O)C3=C(Cl)C=CC=C3Cl)C=N[NH]2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide A10 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCC(NCCCOCCOCCOCCCNC(CCC=O)=O)=O O=C([R1])CCC(NCCCOCCOCCOCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCC(=O)NCCCOCCOCCOCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2020 2020.0 0 linker/linker_499.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 500 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F1 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCCNC(CO)=O O=C([R1])CCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCCNC(=O)CO [R1]C(=O)CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2210 2210.0 0 linker/linker_501.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 501 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F1 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCCNC(CO)=O O=C([R1])CCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCCNC(=O)CO [R1]C(=O)CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2210 2210.0 0 linker/linker_501.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 502 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCCCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F2 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCCCCNC(CO)=O O=C([R1])CCCCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCCCCNC(=O)CO [R1]C(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 540 540.0 1 linker/linker_503.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 503 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCCCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F2 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCCCCNC(CO)=O O=C([R1])CCCCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCCCCNC(=O)CO [R1]C(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 540 540.0 1 linker/linker_503.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 504 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F3 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCC)=O O=C(CCC([R1])=O)NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 62 120 62.0 120.0 1 linker/linker_489.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 505 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F3 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCC)=O O=C(CCC([R1])=O)NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33 120 33.0 120.0 1 linker/linker_489.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 506 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F4 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCC)=O O=C(CCC([R1])=O)NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1380 1380.0 0 linker/linker_491.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 507 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F4 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCC)=O O=C(CCC([R1])=O)NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1380 1380.0 0 linker/linker_491.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 508 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F5 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCCC)=O O=C(CCC([R1])=O)NCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3600 3600.0 0 linker/linker_493.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 509 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F5 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCCC)=O O=C(CCC([R1])=O)NCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 CCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3600 3600.0 0 linker/linker_493.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_7.sdf 510 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F6 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCNC(CO)=O)=O O=C([R1])CCC(NCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCNC(=O)CO [R1]C(=O)CCC(=O)NCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8030 8030.0 0 linker/linker_511.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 511 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F6 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCNC(CO)=O)=O O=C([R1])CCC(NCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCNC(=O)CO [R1]C(=O)CCC(=O)NCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8030 8030.0 0 linker/linker_511.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 512 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F7 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13390 13390.0 0 linker/linker_513.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 513 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F7 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13390 13390.0 0 linker/linker_513.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 514 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F8 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7300 7300.0 0 linker/linker_495.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 515 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCCCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F8 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 O=CCCC(NCCCCCCNC(CO)=O)=O O=C([R1])CCC(NCCCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7300 7300.0 0 linker/linker_495.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 516 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(COCCOCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]acetyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F9 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 OCC(NCCOCCOCC=O)=O O=C([R1])COCCOCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCOCCOCCNC(=O)CO [R1]C(=O)COCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3540 3540.0 0 linker/linker_497.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 517 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(COCCOCCNC(COC3=C(C4=O)C(C(N4C(C(N5)=O)CCC5=O)=O)=CC=C3)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1 N-[4-[[4-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]acetyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F9 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 OCC(NCCOCCOCC=O)=O O=C([R1])COCCOCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCOCCOCCNC(=O)CO [R1]C(=O)COCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3540 3540.0 0 linker/linker_497.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 518 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCOCCOCCOCCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F10 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 OCC(NCCCOCCOCCOCCCNC(CCC=O)=O)=O O=C([R1])CCC(NCCCOCCOCCOCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCOCCOCCOCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18340 18340.0 0 linker/linker_499.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 519 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CC=C(CN2CCN(C(CCC(NCCCOCCOCCOCCCNC(COC(C=CC=C3C4=O)=C3C(N4C(C(N5)=O)CCC5=O)=O)=O)=O)=O)CC2)C=C1)C6=C(C=NN6)NC7=NC=NC8=C7C=CN8 O=C(CCC(=O)N1CCN(CC2=CC=C(NC(=O)C3=C(NC4=NC=NC5=C4C=C[NH]5)C=N[NH]3)C=C2)CC1)NCCCOCCOCCOCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[4-[4-[3-[2-[2-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]piperazin-1-yl]methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide F10 O=C(C1=C(C=NN1)NC2=NC=NC3=C2C=CN3)NC4=CC=C(C=C4)CN5CCN([R1])CC5 OCC(NCCCOCCOCCOCCCNC(CCC=O)=O)=O O=C([R1])CCC(NCCCOCCOCCOCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5 O=CCCC(=O)NCCCOCCOCCOCCCNC(=O)CO [R1]C(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18340 18340.0 0 linker/linker_499.sdf warhead/warhead_501.sdf e3_ligand/e3_ligand_16.sdf 520 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-3-oxopropanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CC=O O=C([R1])C[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CC=O [R1]C(=O)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_521.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 521 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-4-oxobutanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCC=O O=C([R1])CC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCC=O [R1]C(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_522.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 522 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[5-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCC=O O=C([R1])CCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCC=O [R1]C(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_232.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 523 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[6-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1d CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCC=O O=C([R1])CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 467 467.0 1 linker/linker_443.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 524 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1f CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCCC=O O=C([R1])CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 108 108.0 1 linker/linker_256.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 525 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 2a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 130 130.0 1 linker/linker_7.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 526 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 2b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 93 82/76/203 93.0 120.33333333333331 1 linker/linker_2.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 527 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 2c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 94.5 94.5 1 linker/linker_12.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 528 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 2d CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 181 181.0 1 linker/linker_13.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 529 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCOCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[3-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-3-oxopropoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCCC=O O=C([R1])CCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 324 324.0 1 linker/linker_530.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 530 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOC O=C([R1])COCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F COCCOCC=O [R1]C(=O)COCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 512 512.0 1 linker/linker_531.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 531 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCCOCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-2-oxoethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCCOC O=C([R1])COCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F COCCCOCC=O [R1]C(=O)COCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 232 232.0 1 linker/linker_532.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 532 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCOCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCC [R1]CCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 151 151.0 1 linker/linker_14.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 533 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCOCCOCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(N[C@@H](C)C8=CC=C(C=C8)C9=C(N=CS9)C)=O)C[C@H](C7)O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 914 914.0 1 linker/linker_1.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 534 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(C(CCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 N'-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N'-methylheptanediamide 5 CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCC=O O=C([R1])CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >2000 2000.0 0 linker/linker_255.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 535 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCC [R1]CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1243 1243.0 0 linker/linker_7.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 536 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCC [R1]CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 460 460.0 1 linker/linker_2.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 537 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6c CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 71 81.3/189/265 71.0 178.4333333333333 1 linker/linker_12.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 538 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6d CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 147 147.0 1 linker/linker_13.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 539 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6e CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCCCC [R1]CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 139 139.0 1 linker/linker_33.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 540 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6f CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1058 1058.0 0 linker/linker_34.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 541 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOC [R1]CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 97 97.0 1 linker/linker_243.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 542 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200 200.0 1 linker/linker_168.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 543 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C[C@H](C6)O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN(C)CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7c CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 206 206.0 1 linker/linker_205.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_23.sdf 544 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 8a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCC=O O=C([R1])CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 82 82.0 1 linker/linker_232.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 545 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 8b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCC=O O=C([R1])CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 346 346.0 1 linker/linker_443.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 546 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 8c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCC=O O=C([R1])CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 518 518.0 1 linker/linker_255.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 547 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 8d CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCCC=O O=C([R1])CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >2000 2000.0 0 linker/linker_256.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 548 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 8e CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCCCCC=O O=C([R1])CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >2000 2000.0 0 linker/linker_257.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 549 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 9a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.3 28.3 1 linker/linker_10.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 550 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 9b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43 43.0 1 linker/linker_7.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 551 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCCCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 9c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_2.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 552 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 10a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOCC O=C([R1])COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC=O [R1]C(=O)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 161 161.0 1 linker/linker_250.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 553 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 10b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOCCOCC O=C([R1])COCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC=O [R1]C(=O)COCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 211 211.0 1 linker/linker_554.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 554 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)COCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 10c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOCCOCCOCC O=C([R1])COCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 126 126.0 1 linker/linker_555.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 555 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(NCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)NCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]piperazine-1-carboxamide 11a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CNCCOCCOCC O=C([R1])NCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCNC=O [R1]C(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 118 118.0 1 linker/linker_556.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 556 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(NCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=S)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=S)NCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamothioyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 11b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C S=CNCCOCCOCC S=C([R1])NCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCNC=S [R1]C(=S)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 722 722.0 1 linker/linker_557.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 557 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 12a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCC [R1]CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 60.5 60.5 1 linker/linker_14.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 558 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 12b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 41.4 41.4 1 linker/linker_1.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 559 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(CCOCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)CC6)CSC%10=CC=CC=C%10)=O)=O)C CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 12c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.5 17.3/38.5/24.6 4.5 26.8 1 linker/linker_15.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 560 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(C)C(CCCN6N=NC(COCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)=O)CSC%10=CC=CC=C%10)=O)=O)C CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 13a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 O=CCCCN1N=NC(COCCOCC)=C1 O=C([R1])CCCN(N=N1)C=C1COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 770 770.0 1 linker/linker_561.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 561 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(C)C(CCCN6N=NC(COCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)=O)CSC%10=CC=CC=C%10)=O)=O)C CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 13b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 O=CCCCN1N=NC(COCCOCCOCC)=C1 O=C([R1])CCCN(N=N1)C=C1COCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 769 769.0 1 linker/linker_562.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 562 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(C(CCCCCCN6N=NC(COCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)=O)C)CSC%10=CC=CC=C%10)=O)=O)C CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[7-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]heptanoyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 14a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCC1=CN(N=N1)CCCCCCC=O O=C([R1])CCCCCCN(N=N1)C=C1COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC1=CN(CCCCCCC=O)N=N1 [R1]C(=O)CCCCCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 177 177.0 1 linker/linker_563.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 563 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(C(CCCCCCN6N=NC(COCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)=O)C)CSC%10=CC=CC=C%10)=O)=O)C CN(CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[7-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]heptanoyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 14b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCCOCC1=CN(N=N1)CCCCCCC=O O=C([R1])CCCCCCN(N=N1)C=C1COCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC1=CN(CCCCCCC=O)N=N1 [R1]C(=O)CCCCCCN1C=C(N=N1)COCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 179 179.0 1 linker/linker_564.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 564 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCN6N=NC(COCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)C)CSC%10=CC=CC=C%10)=O)=O)C CN(CCCCCCCN1C=C(COCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[7-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]heptyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 15a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCC1=CN(N=N1)CCCCCCC [R1]CCCCCCCN1C=C(N=N1)COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCCN1C=C(COCCOCC)N=N1 [R1]CCCCCCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6.3 29.2/62.2/61.7 6.3 51.03333333333334 1 linker/linker_565.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 565 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCN6N=NC(COCCOCCOCCNC7=CC=CC8=C7C(N(C8=O)C9CCC(NC9=O)=O)=O)=C6)C)CSC%10=CC=CC=C%10)=O)=O)C CN(CCCCCCCN1C=C(COCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[7-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]heptyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 15b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCCCN1N=NC(COCCOCCOCC)=C1 [R1]CCCCCCCN1C=C(N=N1)COCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCCN1C=C(COCCOCCOCC)N=N1 [R1]CCCCCCCN1C=C(N=N1)COCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35 35.0 1 linker/linker_566.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 566 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 16a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.6 32.5/129/70.2 10.6 77.23333333333333 1 linker/linker_10.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 567 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 16b CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCC [R1]CCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38.7 38.7 1 linker/linker_7.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 568 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 16c CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCC [R1]CCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 60.9 60.9 1 linker/linker_2.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 569 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 16d CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 147 147.0 1 linker/linker_12.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 570 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCCCCCCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 16e CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCCCCCCC [R1]CCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >2000 2000.0 0 linker/linker_33.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 571 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 17a CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35 35.0 1 linker/linker_1.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 572 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCCOCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide XZ739(17b) XZ739 CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.5 10.1/41.8/25.3 2.5 25.73333333333333 1 linker/linker_15.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 573 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C)CSC9=CC=CC=C9)=O)=O)C CN(CCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@H](CSC1=CC=CC=C1)NC1=CC=C(S(=O)(=O)NC(=O)C2=CC=C(N3CCN(CC4=C(C5=CC=C(Cl)C=C5)CCC(C)(C)C4)CC3)C=C2)C=C1S(=O)(=O)C(F)(F)F 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 17c CN([R1])CC[C@@H](NC1=CC=C(C=C1S(=O)(C(F)(F)F)=O)S(=O)(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=C(CCC(C)(C4)C)C5=CC=C(C=C5)Cl)=O)=O)CSC6=CC=CC=C6 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC[C@H](CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 19.3 19.3 1 linker/linker_238.sdf warhead/warhead_535.sdf e3_ligand/e3_ligand_7.sdf 574 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCC(N[C@H](C(N8[C@@H](C[C@@H](O)C8)C(N[C@H](C9=CC=C(C%10=C(C)N=CS%10)C=C9)C)=O)=O)C(C)(C)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide DT2216 DT2216 CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCCC O=C([R1])CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53 77.1/213/278 53.0 189.36666666666667 1 linker/linker_255.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 575 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCCC(N[C@H](C(N8[C@@H](C[C@@H](O)C8)C(N[C@H](C9=CC=C(C%10=C(C)N=CS%10)C=C9)C)=O)=O)C(C)(C)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide DT2216 DT2216 CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCCC O=C([R1])CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63/>3000 1531.5 0 linker/linker_255.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_23.sdf 576 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(CCCCCCNC(COC5=C(C6=O)C(C(N6C(C(N7)=O)CCC7=O)=O)=CC=C5)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide AC-1-277,BSJ-03-124 AC-1-277 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O O=C(CO)NCCCCCC O=C(CO[R2])NCCCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12 12.0 1 linker/linker_577.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 577 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(CCCCCCNC(COC5=C(C6=O)C(C(N6C(C(N7)=O)CCC7=O)=O)=CC=C5)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide AC-1-277,BSJ-03-124 AC-1-277 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O O=C(CO)NCCCCCC O=C(CO[R2])NCCCCCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12 12.0 1 linker/linker_577.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 578 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN(CCCCNC(CNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]butyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide 10 BSJ-02-162 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCNC(C)=O O=C(C[R2])NCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_65.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 579 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN(CCCCNC(CNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]butyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide 10 BSJ-02-162 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCNC(C)=O O=C(C[R2])NCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.8 0.8 1 linker/linker_65.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 580 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(CCNC(COC5=C(C6=O)C(C(N6C(C(N7)=O)CCC7=O)=O)=CC=C5)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide AC-1-212,BSJ-03-189 AC-1-212 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCNC(CO)=O O=C(CO[R2])NCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCNC(=O)CO [R1]CCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 51 51.0 1 linker/linker_581.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 581 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(CCNC(COC5=C(C6=O)C(C(N6C(C(N7)=O)CCC7=O)=O)=CC=C5)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide AC-1-212,BSJ-03-189 AC-1-212 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCNC(CO)=O O=C(CO[R2])NCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCNC(=O)CO [R1]CCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 51 51.0 1 linker/linker_581.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 582 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=S(N(CC1CCNCC1)CC2=CC=C(C(NCCOCCOCCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)C=C2)(C6=CC=C(S(=O)(N(C7CCCC7)CC8=CC=C(Cl)C=C8)=O)C=C6)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)C4=CC=C(CN(CC5CCNCC5)S(=O)(=O)C5=CC=C(S(=O)(=O)N(CC6=CC=C(Cl)C=C6)C6CCCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 4-[[[4-[(4-chlorophenyl)methyl-cyclopentylsulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide 3 O=S(C1=CC=C(C=C1)S(=O)(N(C2CCCC2)CC3=CC=C(C=C3)Cl)=O)(N(CC4CCNCC4)CC5=CC=C([R1])C=C5)=O O=CNCCOCCOCCOCCOCC O=C([R1])NCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)CN(CC2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N(CC4=CC=C(C=C4)Cl)C5CCCC5 CCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 48 48.0 1 linker/linker_583.sdf warhead/warhead_583.sdf e3_ligand/e3_ligand_7.sdf 583 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(C1=CC=CC2=C1CN(C3=NC(C(O)=O)=C(CCCOC(C=CC(C#CCN4CCN(C(CCCN5N=NC(COCCOCCNC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=C5)=O)CC4)=C9)=C9F)S3)CC2)NC%10=NC%11=CC=CC=C%11S%10 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCC4=CN(CCCC(=O)N5CCN(CC#CC6=CC=C(OCCCC7=C(C(=O)O)N=C(N8CCC9=CC=CC(C(=O)NC%10=NC%11=CC=CC=C%11S%10)=C9C8)S7)C(F)=C6)CC5)N=N4)=C3C2=O)C(=O)N1 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-[4-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid XZ424 XZ424 O=C(C1=CC=CC2=C1CN(CC2)C3=NC(C(O)=O)=C(S3)CCCOC4=CC=C(C=C4F)C#CCN5CCN([R1])CC5)NC6=NC7=CC=CC=C7S6 O=CCCCN1N=NC(COCCOCC)=C1 O=C([R1])CCCN(N=N1)C=C1COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC#CC2=CC(=C(C=C2)OCCCC3=C(N=C(S3)N4CCC5=C(C4)C(=CC=C5)C(=O)NC6=NC7=CC=CC=C7S6)C(=O)O)F CCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_561.sdf warhead/warhead_584.sdf e3_ligand/e3_ligand_7.sdf 584 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NC(CCCCCN(N=N4)C=C4CN(CC5)CCN5C(C=C6)=CN=C6NC(N=C7N(C8CCCC8)C9=O)=NC=C7C(C)=C9C(C)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide pal-pom pal-pom CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(CCCCCC=O)N=N1 O=C([R2])CCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.9 12.9 1 linker/linker_259.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 585 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NC(CCCCCN(N=N4)C=C4CN(CC5)CCN5C(C=C6)=CN=C6NC(N=C7N(C8CCCC8)C9=O)=NC=C7C(C)=C9C(C)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 6-[4-[[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide pal-pom pal-pom CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC1=CN(CCCCCC=O)N=N1 O=C([R2])CCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34.1 34.1 1 linker/linker_259.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 586 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NC(CCCCCN(N=N4)C=C4CN(CC5)CCN5C(C=C6)=CN=C6NC(N=C7N8C9CCCC9)=NC=C7C=C8C(N(C)C)=O)=O CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1 7-cyclopentyl-2-[[5-[4-[[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]triazol-4-yl]methyl]piperazin-1-yl]pyridin-2-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide rib-pom rib-pom CN(C(C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)=O)C CC1=CN(CCCCCC=O)N=N1 O=C([R2])CCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C(N(C4=N3)C5CCCC5)C(=O)N(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97 97.0 1 linker/linker_259.sdf warhead/warhead_587.sdf e3_ligand/e3_ligand_7.sdf 587 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NC(CCCCCN(N=N4)C=C4CN(CC5)CCN5C(C=C6)=CN=C6NC(N=C7N8C9CCCC9)=NC=C7C=C8C(N(C)C)=O)=O CN(C)C(=O)C1=CC2=CN=C(NC3=CC=C(N4CCN(CC5=CN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)C=N3)N=C2N1C1CCCC1 7-cyclopentyl-2-[[5-[4-[[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]triazol-4-yl]methyl]piperazin-1-yl]pyridin-2-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide rib-pom rib-pom CN(C(C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)=O)C CC1=CN(CCCCCC=O)N=N1 O=C([R2])CCCCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C(N(C4=N3)C5CCCC5)C(=O)N(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 300 300.0 1 linker/linker_259.sdf warhead/warhead_587.sdf e3_ligand/e3_ligand_7.sdf 588 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 CCCCN(C(NC1=CC=C(NC(CCCC2=CN(CCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)N=N2)=O)C=C1)=O)CC6=CC=C(C(NO)=O)C=C6 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(NC(=O)CCCC2=CN(CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[4-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]butanoylamino]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide NH2(13) NH2 CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O NC(CCCC1=CN(CCOCC)N=N1)=O O=C(N[R1])CCCC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCOCCN1C=C(CCCC(N)=O)N=N1 [R1]NC(=O)CCCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.2 3.2 1 linker/linker_589.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 589 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 13 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCC)=O O=C(CC[R1])NCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCNC(=O)CC [R1]CCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1648/>10000 5824.0 0 linker/linker_590.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 590 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 14 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCC)=O O=C(CC[R1])NCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCNC(=O)CC [R1]CCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.23/179.5 102.365 1 linker/linker_591.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 591 P25440 Bromodomain-containing protein 2 BRD2 RING3 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 15 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCCC)=O O=C(CC[R1])NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCCNC(=O)CC [R1]CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.25/51.96 32.105000000000004 1 linker/linker_592.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 592 Q15059 Bromodomain-containing protein 3 BRD3 RING3L COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 15 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCCC)=O O=C(CC[R1])NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCCNC(=O)CC [R1]CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.25/51.96 32.105000000000004 1 linker/linker_592.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 593 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 15 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCCC)=O O=C(CC[R1])NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCCNC(=O)CC [R1]CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.25/51.96 32.105000000000004 1 linker/linker_592.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 594 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 16 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCCCC)=O O=C(CC[R1])NCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCCCNC(=O)CC [R1]CCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32.18/176.7 104.44 1 linker/linker_595.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 595 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 COC1=CC=CC=C1S(=O)(NC2=C(C=C(CCC(NCCCCCCNC3=CC=CC(C(N4C5C(NC(CC5)=O)=O)=O)=C3C4=O)=O)C=C6C(N7C)=O)C6=C7C=C2)=O COC1=CC=CC=C1S(=O)(=O)NC1=CC=C2C3=C(C=C(CCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C13)C(=O)N2C N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-3-[6-[(2-methoxyphenyl)sulfonylamino]-1-methyl-2-oxobenzo[cd]indol-4-yl]propanamide 17 COC1=CC=CC=C1S(=O)(NC2=CC=C3C4=C(C(N3C)=O)C=C([R1])C=C24)=O CCC(NCCCCCC)=O O=C(CC[R1])NCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(C=CC3=C2C(=C1)C(=O)N3C)NS(=O)(=O)C4=CC=CC=C4OC CCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3429/>10000 6714.5 0 linker/linker_596.sdf warhead/warhead_590.sdf e3_ligand/e3_ligand_7.sdf 596 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O[C@H]1CN(C([C@@H](NC(CCCCCCCN(CC2)CCN2C(C=C3)=CN=C3NC(N=C4N(C5CCCC5)C6=O)=NC=C4C(C)=C6C(C)=O)=O)C(C)(C)C)=O)[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C1 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25 25.0 1 linker/linker_13.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 597 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O[C@H]1CN(C([C@@H](NC(CCCCCCCN(CC2)CCN2C(C=C3)=CN=C3NC(N=C4N(C5CCCC5)C6=O)=NC=C4C(C)=C6C(C)=O)=O)C(C)(C)C)=O)[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C1 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCCCC [R1]CCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4 4.0 1 linker/linker_13.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 598 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O[C@H]1CN(C([C@@H](NC(COCCOCCOCCN(CC2)CCN2C(C=C3)=CN=C3NC(N=C4N(C5CCCC5)C6=O)=NC=C4C(C)=C6C(C)=O)=O)C(C)(C)C)=O)[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C1 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 5 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 631 631.0 1 linker/linker_168.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 599 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2=NC(NC3=NC=C(N4CCN(CC4)CCOCCOCCOCC(N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)C=C3)=NC=C2C(C)=C1C(C)=O)C8CCCC8 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 CST620 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C COCCOCCOCC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32 1540 32.0 1540.0 1 linker/linker_168.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 600 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O[C@H]1CN(C([C@@H](NC(COCCOCCOCCN(CC2)CCN2C(C=C3)=CN=C3NC(N=C4N(C5CCCC5)C6=O)=NC=C4C(C)=C6C(C)=O)=O)C(C)(C)C)=O)[C@H](C(N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)=O)C1 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 5 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20 20.0 1 linker/linker_168.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 601 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C1N(C2=NC(NC3=NC=C(N4CCN(CC4)CCOCCOCCOCC(N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)C=C3)=NC=C2C(C)=C1C(C)=O)C8CCCC8 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 CST620 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C COCCOCCOCC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.7 1540 1.7 1540.0 1 linker/linker_168.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 602 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O[C@H]1CN([C@@H](C1)C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C([C@H](C(C)(C)C)NC(CCOCCOCCOCCNC(CN4CCN(C5=CN=C(NC6=NC=C(C(C)=C7C(C)=O)C(N(C7=O)C8CCCC8)=N6)C=C5)CC4)=O)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2512 2512.0 0 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 603 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O[C@H]1CN([C@@H](C1)C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C([C@H](C(C)(C)C)NC(CCOCCOCCOCCNC(CN4CCN(C5=CN=C(NC6=NC=C(C(C)=C7C(C)=O)C(N(C7=O)C8CCCC8)=N6)C=C5)CC4)=O)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCCNC(C)=O O=C(C[R1])NCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200 200.0 1 linker/linker_225.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_23.sdf 604 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)N1[C@H](C(NC2=C(F)C=CC=C2F)=O)C[C@H](NC(CCCCCCCN(CC3)CCN3C(C=C4)=CN=C4NC5=NC(N6C7CCCC7)=C(C=N5)C(C)=C(C(C)=O)C6=O)=O)C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]octanoylamino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCCCCC=O O=C([R2])CCCCCCC[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 20 20.0 1 linker/linker_257.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 605 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)N1[C@H](C(NC2=C(F)C=CC=C2F)=O)C[C@H](NC(CCCCCCCN(CC3)CCN3C(C=C4)=CN=C4NC5=NC(N6C7CCCC7)=C(C=N5)C(C)=C(C(C)=O)C6=O)=O)C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]octanoylamino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 7 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCCCCCCC=O O=C([R2])CCCCCCC[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 5 5.0 1 linker/linker_257.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 606 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CCOCCOCCOCC(N[C@H]4C[C@@H](C(NC5=C(F)C=CC=C5F)=O)N(C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)C4)=O)CC3)C=C2)=N6)=C6N(C7CCCC7)C1=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 8 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 79 79.0 1 linker/linker_554.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 607 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CCOCCOCCOCC(N[C@H]4C[C@@H](C(NC5=C(F)C=CC=C5F)=O)N(C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)C4)=O)CC3)C=C2)=N6)=C6N(C7CCCC7)C1=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 8 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 16 16.0 1 linker/linker_554.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 608 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CC(NCCOCCOCCOCCC(N[C@H]4C[C@@H](C(NC5=C(F)C=CC=C5F)=O)N(C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)C4)=O)=O)CC3)C=C2)=N6)=C6N(C7CCCC7)C1=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[3-[2-[2-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 9 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC(NCCOCCOCCOCCC=O)=O O=C(NCCOCCOCCOCCC([R2])=O)C[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCOCCOCCOCCC=O [R1]CC(=O)NCCOCCOCCOCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 5012 5012.0 0 linker/linker_609.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 609 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CC(NCCOCCOCCOCCC(N[C@H]4C[C@@H](C(NC5=C(F)C=CC=C5F)=O)N(C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)C4)=O)=O)CC3)C=C2)=N6)=C6N(C7CCCC7)C1=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C (2S,4S)-4-[3-[2-[2-[2-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]-N-(2,6-difluorophenyl)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidine-2-carboxamide 9 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CC(NCCOCCOCCOCCC=O)=O O=C(NCCOCCOCCOCCC([R2])=O)C[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCOCCOCCOCCC=O [R1]CC(=O)NCCOCCOCCOCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 1585 1585.0 0 linker/linker_609.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_605.sdf 610 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(C)C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CCOCCOCCNC(CNC4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)C=C2)=N7)=C7N(C8CCCC8)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide 11 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_337.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 611 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(C)C1=C(C)C(C=NC(NC2=NC=C(N3CCN(CCOCCOCCNC(CNC4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)C=C2)=N7)=C7N(C8CCCC8)C1=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide 11 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O CCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_337.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_7.sdf 612 Q06187 Bruton's tyrosine kinase BTK BPK ATK CC(C)([C@H](NC(COCCOCCN(CC1)CCC1N2N=C(C3=CC=C(C=C3)OC4=CC=CC=C4)C5=C2N=CN=C5N)=O)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide SJF638 SJF638 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOC [R2]COCCOCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 374 374.0 1 linker/linker_243.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_27.sdf 613 Q06187 Bruton's tyrosine kinase BTK BPK ATK O[C@@H](CN1C([C@H](C(C)C)N2C(C3=C(C2)C=CC=C3)=O)=O)C[C@H]1C(NCC4=C(OCCCCOCCCCN(CC5)CCC5N6N=C(C7=CC=C(C=C7)OC8=CC=CC=C8)C9=C6N=CN=C9N)C=C(C%10=C(N=CS%10)C)C=C4)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCCCOCCCCN3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]butoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide SJF678 SJF678 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCCCOCCCC [R1]CCCCOCCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 162 162.0 1 linker/linker_182.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_180.sdf 614 Q06187 Bruton's tyrosine kinase BTK BPK ATK O[C@@H](CN1C([C@H](C(C)C)N2C(C3=C(C2)C=CC=C3)=O)=O)C[C@H]1C(NCC4=C(OCCCOCCC(N(CC5)CCC5N6N=C(C7=CC=C(C=C7)OC8=CC=CC=C8)C9=C6N=CN=C9N)=O)C=C(C%10=C(N=CS%10)C)C=C4)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCCOCCC(=O)N3CCC(N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C(N)N=CN=C54)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[3-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropoxy]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide SJF690 SJF690 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 O=CCCOCCC O=C([R1])CCOCCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](N4CC5=CC=CC=C5C4=O)C(C)C)=O)O)=O VHL P40337 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCC=O [R1]C(=O)CCOCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O >1000 1000.0 0 linker/linker_615.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_180.sdf 615 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCOCCOCCOC6=CC=C(C7=O)C(C(N7C(CCC8=O)C(N8)=O)=O)=C6)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCCOC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 5-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SJF608 SJF608 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOCCO [R1]CCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCCO [R1]CCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8.3 8.3 1 linker/linker_203.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 616 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CCOCCOCCOC6=CC=C(C7=O)C(CN7C(CCC8=O)C(N8)=O)=C6)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CCOCCOCCOC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)CC1 3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione SJF620 SJF620 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 CCOCCOCCO [R1]CCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOCCO [R1]CCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 7.9 7.9 1 linker/linker_203.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_21.sdf 617 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(CNC2=NC(NC3=CN(CCCCCCCCCC(N[C@@H](C[C@H]4C(N[C@@H]5CCCC6=C5C=CC=C6)=O)CN4C([C@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)=O)N=C3)=NC=C2Cl)C=C(F)C=C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]decanoylamino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-2(7) JP-2 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_258.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_618.sdf 618 O60674 Janus kinase 2 JAK2 FC1=C(CNC2=NC(NC3=CN(CCCCCCCCCC(N[C@@H](C[C@H]4C(N[C@@H]5CCCC6=C5C=CC=C6)=O)CN4C([C@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)=O)N=C3)=NC=C2Cl)C=C(F)C=C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]decanoylamino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-2(7) JP-2 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_258.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_618.sdf 619 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(N=C3)CCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=NC=C2Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_34.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_27.sdf 620 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(N=C3)CCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=NC=C2Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_34.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_27.sdf 621 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(N=C3)CCCCCCCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=NC=C2Cl O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1 10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]decanamide 25 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10000 10000.0 0 linker/linker_258.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_17.sdf 622 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(N=C3)CCCCCCCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=NC=C2Cl O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1 10-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]decanamide 25 FC1=CC=C(C(CNC2=NC(NC3=CN([R1])N=C3)=NC=C2Cl)=C1)F CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10000 10000.0 0 linker/linker_258.sdf warhead/warhead_618.sdf e3_ligand/e3_ligand_17.sdf 623 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(CNC2=NC(NC3=CN(N=C3)CCOCCOCCOCCOCC(N[C@H]4C[C@H](N(C4)C([C@@H](NC([C@@H](NC)C)=O)C5CCCCC5)=O)C(N[C@H]6C7=C(CCC6)C=CC=C7)=O)=O)=NC=C2Cl)C=C(F)C=C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-1(6) JP-1 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 19953 19953.0 0 linker/linker_554.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_618.sdf 624 O60674 Janus kinase 2 JAK2 FC1=C(CNC2=NC(NC3=CN(N=C3)CCOCCOCCOCCOCC(N[C@H]4C[C@H](N(C4)C([C@@H](NC([C@@H](NC)C)=O)C5CCCCC5)=O)C(N[C@H]6C7=C(CCC6)C=CC=C7)=O)=O)=NC=C2Cl)C=C(F)C=C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2C=C(NC3=NC=C(Cl)C(NCC4=CC(F)=CC=C4F)=N3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-1(6) JP-1 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 19953 19953.0 0 linker/linker_554.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_618.sdf 625 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(CCOCCOCCOCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)N=C3)=NC=C2Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 26 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOC [R2]COCCOCCOCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19953 19953.0 0 linker/linker_168.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_27.sdf 626 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(CCOCCOCCOCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)N=C3)=NC=C2Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(NC4=NC=C(Cl)C(NCC5=CC(F)=CC=C5F)=N4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 26 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOC [R2]COCCOCCOCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19953 19953.0 0 linker/linker_168.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_27.sdf 627 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(CCOCCOCCOCCOCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)N=C3)=NC=C2Cl O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1 2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 27 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 39811 39811.0 0 linker/linker_554.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_17.sdf 628 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1)F)CNC2=NC(NC3=CN(CCOCCOCCOCCOCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)N=C3)=NC=C2Cl O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCN4C=C(NC5=NC=C(Cl)C(NCC6=CC(F)=CC=C6F)=N5)C=N4)C=CC=C3C2=O)C(=O)N1 2-[2-[2-[2-[2-[4-[[5-chloro-4-[(2,5-difluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 27 ClC(C(NCC1=CC(F)=CC=C1F)=N2)=CN=C2NC(C=N3)=CN3CCO[R1] CCOCCOCCOCC=O O=C([R2])COCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]OCCN1C=C(C=N1)NC2=NC=C(C(=N2)NCC3=C(C=CC(=C3)F)F)Cl CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 39811 39811.0 0 linker/linker_554.sdf warhead/warhead_624.sdf e3_ligand/e3_ligand_17.sdf 629 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(CNC2=NC(NC3=CN(N=C3)C)=NC=C2Cl)C=C(F)C=C1OCCCCCCCCCC(N[C@@H](C[C@H]4C(N[C@@H]5CCCC6=C5C=CC=C6)=O)CN4C([C@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]decanoylamino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-4(13) JP-4 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCCC=O O=C([R2])CCCCCCCCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCCCCCCCCCO [R1]OCCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_630.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 630 O60674 Janus kinase 2 JAK2 FC1=C(CNC2=NC(NC3=CN(N=C3)C)=NC=C2Cl)C=C(F)C=C1OCCCCCCCCCC(N[C@@H](C[C@H]4C(N[C@@H]5CCCC6=C5C=CC=C6)=O)CN4C([C@H](C7CCCCC7)NC([C@@H](NC)C)=O)=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]decanoylamino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-4(13) JP-4 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCCC=O O=C([R2])CCCCCCCCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCCCCCCCCCO [R1]OCCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_630.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 631 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@@H](C[C@H](C2)O)C(NCC3=CC=C(C=C3)C4=C(N=CS4)C)=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 28 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCC [R1]OCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F CCCCCCCCCO [R1]OCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_632.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 632 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@@H](C[C@H](C2)O)C(NCC3=CC=C(C=C3)C4=C(N=CS4)C)=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 28 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCC [R1]OCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F CCCCCCCCCO [R1]OCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_632.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 633 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCCCCCCCCC(NC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCCCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]decanamide 29 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCCC=O O=C([R2])CCCCCCCCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCCCCCCCCCO [R1]OCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 5012 5012.0 0 linker/linker_630.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 634 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCCCCCCCCC(NC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCCCCCCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 10-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]decanamide 29 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCCCCCCCCC=O O=C([R2])CCCCCCCCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCCCCCCCCCO [R1]OCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 5012 5012.0 0 linker/linker_630.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 635 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(N[C@H]2C[C@H](N(C2)C([C@@H](NC([C@@H](NC)C)=O)C3CCCCC3)=O)C(N[C@H]4C5=C(CCC4)C=CC=C5)=O)=O)F)CNC6=NC(NC7=CN(C)N=C7)=NC=C6Cl CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-3(10) JP-3 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 12589 12589.0 0 linker/linker_636.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 636 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(N[C@H]2C[C@H](N(C2)C([C@@H](NC([C@@H](NC)C)=O)C3CCCCC3)=O)C(N[C@H]4C5=C(CCC4)C=CC=C5)=O)=O)F)CNC6=NC(NC7=CN(C)N=C7)=NC=C6Cl CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-3(10) JP-3 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 12589 12589.0 0 linker/linker_636.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 637 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 30 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOC [R1]OCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F COCCOCCOCCOCCO [R1]OCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5012 5012.0 0 linker/linker_638.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 638 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 30 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOC [R1]OCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F COCCOCCOCCOCCO [R1]OCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5012 5012.0 0 linker/linker_638.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 639 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(NC2=CC=CC3=C2CN(C3=O)C4CCC(NC4=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 31 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_636.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 640 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCC(NC2=CC=CC3=C2CN(C3=O)C4CCC(NC4=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 31 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_636.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 641 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(N[C@H]2C[C@H](N(C2)C([C@@H](NC([C@@H](NC)C)=O)C3CCCCC3)=O)C(N[C@H]4C5=C(CCC4)C=CC=C5)=O)=O)F)CNC6=NC(NC7=CN(C)N=C7)=NC=C6Cl CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 32 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 19953 19953.0 0 linker/linker_642.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 642 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(N[C@H]2C[C@H](N(C2)C([C@@H](NC([C@@H](NC)C)=O)C3CCCCC3)=O)C(N[C@H]4C5=C(CCC4)C=CC=C5)=O)=O)F)CNC6=NC(NC7=CN(C)N=C7)=NC=C6Cl CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC2=CC(F)=CC(CNC3=NC(NC4=CN(C)N=C4)=NC=C3Cl)=C2F)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[[2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 32 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCCO[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 19953 19953.0 0 linker/linker_642.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_618.sdf 643 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 33 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOC [R1]OCCOCCOCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F COCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_644.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 644 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCOC3=CC(F)=CC(CNC4=NC(NC5=CN(C)N=C5)=NC=C4Cl)=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 33 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOC [R1]OCCOCCOCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F COCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10000 10000.0 0 linker/linker_644.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_27.sdf 645 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(NC2=CC=CC3=C2CN(C3=O)C4CCC(NC4=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 34 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_642.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 646 O60674 Janus kinase 2 JAK2 FC1=C(C=C(C=C1OCCOCCOCCOCCOCCOCCOCC(NC2=CC=CC3=C2CN(C3=O)C4CCC(NC4=O)=O)=O)F)CNC5=NC(NC6=CN(C)N=C6)=NC=C5Cl CN1C=C(NC2=NC=C(Cl)C(NCC3=CC(F)=CC(OCCOCCOCCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C3F)=N2)C=N1 2-[2-[2-[2-[2-[2-[2-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]-2,5-difluorophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 34 CN1C=C(C=N1)NC2=NC=C(C(NCC3=CC(F)=CC([R1])=C3F)=N2)Cl OCCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCCO[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC(=C1F)CNC2=NC(=NC=C2Cl)NC3=CN(N=C3)C)F O=CCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_642.sdf warhead/warhead_630.sdf e3_ligand/e3_ligand_17.sdf 647 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(N[C@H]1C2=C(CCC1)C=CC=C2)[C@@H](N(C3)C([C@@H](NC([C@@H](NC)C)=O)C4CCCCC4)=O)C[C@@H]3NC(CCCCCCCCCN(CC5)CCN5CCCOC(C=C6)=C(OC)C=C6C7=NC(C(N=C7)=CC=C8)=C8C9=CC(F)=C(CN%10CCS(CC%10)(=O)=O)C(F)=C9)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-6(17) JP-6 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 6310 6310.0 0 linker/linker_258.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 648 O60674 Janus kinase 2 JAK2 O=C(N[C@H]1C2=C(CCC1)C=CC=C2)[C@@H](N(C3)C([C@@H](NC([C@@H](NC)C)=O)C4CCCCC4)=O)C[C@@H]3NC(CCCCCCCCCN(CC5)CCN5CCCOC(C=C6)=C(OC)C=C6C7=NC(C(N=C7)=CC=C8)=C8C9=CC(F)=C(CN%10CCS(CC%10)(=O)=O)C(F)=C9)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCCCCCCCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanoylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-6(17) JP-6 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 6310 6310.0 0 linker/linker_258.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 649 P23458 Janus kinase 1 JAK1 JAK1A JAK1B CC(C)([C@H](NC(CCCCCCCCCN(CC1)CCN1CCCOC(C=C2)=C(OC)C=C2C3=NC(C(N=C3)=CC=C4)=C4C5=CC(F)=C(CN6CCS(CC6)(=O)=O)C(F)=C5)=O)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)C COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 35 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15849 15849.0 0 linker/linker_34.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 650 O60674 Janus kinase 2 JAK2 CC(C)([C@H](NC(CCCCCCCCCN(CC1)CCN1CCCOC(C=C2)=C(OC)C=C2C3=NC(C(N=C3)=CC=C4)=C4C5=CC(F)=C(CN6CCS(CC6)(=O)=O)C(F)=C5)=O)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)C COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 35 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCC [R1]CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15849 15849.0 0 linker/linker_34.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 651 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(CCCCCCCCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanamide 36 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 12589 12589.0 0 linker/linker_258.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 652 O60674 Janus kinase 2 JAK2 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(CCCCCCCCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-10-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]decanamide 36 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 12589 12589.0 0 linker/linker_258.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 653 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCC(N[C@H]6C[C@H](N(C6)C([C@@H](NC([C@@H](NC)C)=O)C7CCCCC7)=O)C(N[C@H]8C9=C(CCC8)C=CC=C9)=O)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN%10CCS(CC%10)(=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-5(15) JP-5 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_555.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 654 O60674 Janus kinase 2 JAK2 FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCC(N[C@H]6C[C@H](N(C6)C([C@@H](NC([C@@H](NC)C)=O)C7CCCCC7)=O)C(N[C@H]8C9=C(CCC8)C=CC=C9)=O)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN%10CCS(CC%10)(=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide JP-5(15) JP-5 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 7943 7943.0 0 linker/linker_555.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 655 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN9CCS(CC9)(=O)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 37 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7943 7943.0 0 linker/linker_205.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 656 O60674 Janus kinase 2 JAK2 FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN9CCS(CC9)(=O)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 37 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7943 7943.0 0 linker/linker_205.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 657 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCOCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 38 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10000 10000.0 0 linker/linker_555.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 658 O60674 Janus kinase 2 JAK2 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCOCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 38 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10000 10000.0 0 linker/linker_555.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 659 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCCOCCOCC(N[C@H]6C[C@H](N(C6)C([C@@H](NC([C@@H](NC)C)=O)C7CCCCC7)=O)C(N[C@H]8C9=C(CCC8)C=CC=C9)=O)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN%10CCS(CC%10)(=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 39 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 12589 12589.0 0 linker/linker_660.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 660 O60674 Janus kinase 2 JAK2 FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCCOCCOCC(N[C@H]6C[C@H](N(C6)C([C@@H](NC([C@@H](NC)C)=O)C7CCCCC7)=O)C(N[C@H]8C9=C(CCC8)C=CC=C9)=O)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN%10CCS(CC%10)(=O)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOCCOCCOCCN2CCN(CCCOC3=CC=C(C4=CN=C5C=CC=C(C6=CC(F)=C(CN7CCS(=O)(=O)CC7)C(F)=C6)C5=N4)C=C3OC)CC2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 39 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCC[R1] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)N[R2])=O)=O)C XIAP P98170 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 12589 12589.0 0 linker/linker_660.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_618.sdf 661 P23458 Janus kinase 1 JAK1 JAK1A JAK1B FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN9CCS(CC9)(=O)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 40 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15849 15849.0 0 linker/linker_209.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 662 O60674 Janus kinase 2 JAK2 FC1=CC(C2=C3C(N=CC(C4=CC(OC)=C(C=C4)OCCCN5CCN(CCOCCOCCOCCOCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)=N3)=CC=C2)=CC(F)=C1CN9CCS(CC9)(=O)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 40 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15849 15849.0 0 linker/linker_209.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_27.sdf 663 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCOCCOCCOCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 41 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_660.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 664 O60674 Janus kinase 2 JAK2 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCOCCOCCOCCN(CC4)CCN4CCCOC(C=C5)=C(OC)C=C5C6=NC(C(N=C6)=CC=C7)=C7C8=CC(F)=C(CN9CCS(CC9)(=O)=O)C(F)=C8)=O COC1=CC(C2=CN=C3C=CC=C(C4=CC(F)=C(CN5CCS(=O)(=O)CC5)C(F)=C4)C3=N2)=CC=C1OCCCN1CCN(CCOCCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[2-[2-[2-[2-[4-[3-[4-[8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]quinoxalin-2-yl]-2-methoxyphenoxy]propyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide 41 COC1=CC(C2=CN=C3C=CC=C(C3=N2)C4=CC(F)=C(C(F)=C4)CN5CCS(=O)(CC5)=O)=CC=C1OCCCN6CCN([R1])CC6 CCOCCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C(C=C2)C3=NC4=C(C=CC=C4N=C3)C5=CC(=C(C(=C5)F)CN6CCS(=O)(=O)CC6)F)OC CCOCCOCCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 19953 19953.0 0 linker/linker_660.sdf warhead/warhead_648.sdf e3_ligand/e3_ligand_17.sdf 665 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN1C2=CC=C(C=C2C(N(CC3=CN(CCOCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)N=N3)C1=O)C7=CC=CC=C7)C8=C(ON=C8C)C CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C 2-[2-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]triazol-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 17 CC1=NOC(C)=C1C2=CC=C3C(C(N([R1])C(N3C)=O)C4=CC=CC=C4)=C2 CC1=CN(CCOCC=O)N=N1 O=C([R2])COCCN(N=N1)C=C1C[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C(C2=C(C=CC(=C2)C3=C(ON=C3C)C)N(C1=O)C)C4=CC=CC=C4 CC1=CN(CCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1830 1830.0 0 linker/linker_666.sdf warhead/warhead_666.sdf e3_ligand/e3_ligand_17.sdf 666 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN1C2=CC=C(C=C2C(N(CC3=CN(CCOCC(NC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)C1=O)C7=CC=CC=C7)C8=C(ON=C8C)C CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C 2-[2-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]triazol-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 21 CC1=NOC(C)=C1C2=CC=C3C(C(N([R1])C(N3C)=O)C4=CC=CC=C4)=C2 CC1=CN(CCOCC=O)N=N1 O=C([R2])COCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C(C2=C(C=CC(=C2)C3=C(ON=C3C)C)N(C1=O)C)C4=CC=CC=C4 CC1=CN(CCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 810 810.0 1 linker/linker_666.sdf warhead/warhead_666.sdf e3_ligand/e3_ligand_7.sdf 667 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN1C2=CC=C(C=C2C(N(CC3=CN(CCOCCOCC(NC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)C1=O)C7=CC=CC=C7)C8=C(ON=C8C)C CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C 2-[2-[2-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]triazol-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 22 CC1=NOC(C)=C1C2=CC=C3C(C(N([R1])C(N3C)=O)C4=CC=CC=C4)=C2 CC1=CN(CCOCCOCC=O)N=N1 O=C([R2])COCCOCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C(C2=C(C=CC(=C2)C3=C(ON=C3C)C)N(C1=O)C)C4=CC=CC=C4 CC1=CN(CCOCCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1660 1660.0 0 linker/linker_668.sdf warhead/warhead_666.sdf e3_ligand/e3_ligand_7.sdf 668 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN1C2=CC=C(C=C2C(N(CC3=CN(CCOCCOCCOCC(NC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)N=N3)C1=O)C7=CC=CC=C7)C8=C(ON=C8C)C CC1=NOC(C)=C1C1=CC=C2C(=C1)C(C1=CC=CC=C1)N(CC1=CN(CCOCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C(=O)N2C 2-[2-[2-[2-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 23 CC1=NOC(C)=C1C2=CC=C3C(C(N([R1])C(N3C)=O)C4=CC=CC=C4)=C2 CC1=CN(CCOCCOCCOCC=O)N=N1 O=C([R2])COCCOCCOCCN(N=N1)C=C1C[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1C(C2=C(C=CC(=C2)C3=C(ON=C3C)C)N(C1=O)C)C4=CC=CC=C4 CC1=CN(CCOCCOCCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1750 1750.0 0 linker/linker_669.sdf warhead/warhead_666.sdf e3_ligand/e3_ligand_7.sdf 669 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC1=C(SC=N1)C2=CC(OCCOCCOCCN(CC3)CCN3C(C=C(N=N4)C5=C(C=CC=C5)O)=C4N)=C(C=C2)CNC([C@@H]6C[C@H](CN6C([C@H](C(C)(C)C)NC(C7(CC7)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide PROTAC 1 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 300 300.0 1 linker/linker_1.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 670 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC1=C(SC=N1)C2=CC(OCCOCCOCCN(CC3)CCN3C(C=C(N=N4)C5=C(C=CC=C5)O)=C4N)=C(C=C2)CNC([C@@H]6C[C@H](CN6C([C@H](C(C)(C)C)NC(C7(CC7)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide PROTAC 1 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 250 250.0 1 linker/linker_1.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 671 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC1=C(SC=N1)C2=CC(OCCC(C=C3)=CC=C3CN(CC4)CCN4C(C=C(N=N5)C6=C(C=CC=C6)O)=C5N)=C(C=C2)CNC([C@@H]7C[C@H](CN7C([C@H](C(C)(C)C)NC(C8(CC8)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 11 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCC1=CC=C(C=C1)C [R1]CC(C=C1)=CC=C1CC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)CC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 221 221.0 1 linker/linker_672.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 672 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC1=C(SC=N1)C2=CC(OCCOC(C=C3)=CC=C3CN(CC4)CCN4C(C=C(N=N5)C6=C(C=CC=C6)O)=C5N)=C(C=C2)CNC([C@@H]7C[C@H](CN7C([C@H](C(C)(C)C)NC(C8(CC8)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide ACBI1 ACBI1 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCOC1=CC=C(C=C1)C [R2]CCOC1=CC=C(C=C1)C[R1] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)OCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 6/3.3 28/68 4.65 48.0 1 linker/linker_673.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 673 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC1=C(SC=N1)C2=CC(OCCOC(C=C3)=CC=C3CN(CC4)CCN4C(C=C(N=N5)C6=C(C=CC=C6)O)=C5N)=C(C=C2)CNC([C@@H]7C[C@H](CN7C([C@H](C(C)(C)C)NC(C8(CC8)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide ACBI1 ACBI1 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCOC1=CC=C(C=C1)C [R2]CCOC1=CC=C(C=C1)C[R1] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)OCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 11 28/68 11.0 48.0 1 linker/linker_673.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 674 Q86U86 Protein polybromo-1 PBRM1 BAF180 PB1 CC1=C(SC=N1)C2=CC(OCCOC(C=C3)=CC=C3CN(CC4)CCN4C(C=C(N=N5)C6=C(C=CC=C6)O)=C5N)=C(C=C2)CNC([C@@H]7C[C@H](CN7C([C@H](C(C)(C)C)NC(C8(CC8)F)=O)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide ACBI1 ACBI1 NC1=NN=C(C=C1N2CCN([R1])CC2)C3=CC=CC=C3O CCOC1=CC=C(C=C1)C [R2]CCOC1=CC=C(C=C1)C[R1] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)OCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 32/15.6 28/68 23.8 48.0 1 linker/linker_673.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 675 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)(C1=CN=C(CSC2=CN=C(NC(C3CCN(CC(NCCOCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)=O)S2)O1)C CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCN(CC(=O)NCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)S2)O1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide THAL-SNS-032 THAL-SNS-032 CC(C)(C1=CN=C(O1)CSC2=CN=C(S2)NC(C3CCN([R1])CC3)=O)C CC(NCCOCCOCCOCC)=O O=C(C[R1])NCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50/124.4/92.5 88.96666666666665 1 linker/linker_225.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_7.sdf 676 P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A FKBP12 FKBP1A COC1=C(C=C(C=C1)CC[C@H](C2=CC(NC(CCOCCOCCNC(COC3=CC(CCCN4C(CCl)=O)=C4C=C3)=O)=O)=CC=C2)OC([C@@H]5CCCCN5C(C(C(C)(CC)C)=O)=O)=O)OC CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC1=CC=C(OC)C(OC)=C1)C1=CC=CC(NC(=O)CCOCCOCCNC(=O)COC2=CC=C3C(=C2)CCCN3C(=O)CCl)=C1 [(1R)-1-[3-[3-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoylamino]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate KB02-SLF KB02-SLF CCC(C)(C(C(N1CCCC[C@H]1C(O[C@@H](C2=CC=CC(N[R1])=C2)CCC3=CC=C(C(OC)=C3)OC)=O)=O)=O)C CC(NCCOCCOCCC=O)=O O=C(NCCOCCOCCC([R1])=O)C[R2] O=C(N1CCCC2=CC(O[R2])=CC=C21)CCl DCAF16 Q9NXF7 [R1]NC1=CC=CC(=C1)[C@@H](CCC2=CC(=C(C=C2)OC)OC)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)C(C)(C)CC CC(=O)NCCOCCOCCC=O [R1]C(=O)CCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 14000 14000.0 0 linker/linker_677.sdf warhead/warhead_677.sdf e3_ligand/e3_ligand_677.sdf 677 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCOCCOCCNC(=O)COC4=CC5=C(C=C4)N(CCC5)C(=O)CCl)C6=CC=C(C=C6)Cl)C CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)COC1=CC=C3C(=C1)CCCN3C(=O)CCl)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide KB02-JQ1 KB02-JQ1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C NCCOCCOCCNC(C)=O O=C(NCCOCCOCCN[R1])C[R2] O=C(N1CCCC2=CC(O[R2])=CC=C21)CCl DCAF16 Q9NXF7 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCOCCN [R1]NCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl >50000 50000.0 0 linker/linker_678.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_677.sdf 678 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 CC[C@H]1[C@H](NC([C@H]1F)=O)COC2=NC=C(C#CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(NCC(C=C4)=CC=C4C(SC=N5)=C5C)=O)=O)=O)C6=CC(C(N)=O)=C(C=C62)OC CC[C@H]1[C@@H](COC2=NC=C(C#CCCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C3=CC(C(N)=O)=C(OC)C=C23)NC(=O)[C@H]1F 1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-4-[13-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridec-1-ynyl]-7-methoxyisoquinoline-6-carboxamide 8 CC[C@H]1[C@H](NC([C@H]1F)=O)COC2=NC=C([R1])C3=CC(C(N)=O)=C(C=C23)OC C#CCCCCCCCCCC [R1]C#CCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CN=C(C2=CC(=C(C=C12)C(=O)N)OC)OC[C@@H]3[C@@H]([C@@H](C(=O)N3)F)CC C#CCCCCCCCCCC [R1]C#CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 259 259.0 1 linker/linker_679.sdf warhead/warhead_679.sdf e3_ligand/e3_ligand_27.sdf 679 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 CC[C@H]1[C@H](NC([C@H]1F)=O)COC2=NC=C(C#CCN3CCC4(CCN(C5=NC=C(C(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC(C=C7)=CC=C7C(SC=N8)=C8C)=O)=O)=O)C=N5)CC4)CC3)C9=CC(C(N)=O)=C(C=C92)OC CC[C@H]1[C@@H](COC2=NC=C(C#CCN3CCC4(CC3)CCN(C3=NC=C(C(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C=N3)CC4)C3=CC(C(N)=O)=C(OC)C=C23)NC(=O)[C@H]1F 1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-4-[3-[3-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecan-9-yl]prop-1-ynyl]-7-methoxyisoquinoline-6-carboxamide 9 CC[C@H]1[C@H](NC([C@H]1F)=O)COC2=NC=C([R1])C3=CC(C(N)=O)=C(C=C23)OC C#CCN1CCC2(CCN(C3=NC=CC=N3)CC2)CC1 [R1]C#CCN1CCC2(CCN(CC2)C3=NC=C([R2])C=N3)CC1 CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CN=C(C2=CC(=C(C=C12)C(=O)N)OC)OC[C@@H]3[C@@H]([C@@H](C(=O)N3)F)CC C#CCN1CCC2(CC1)CCN(C1=NC=CC=N1)CC2 [R1]C#CCN1CCC2(CC1)CCN(CC2)C3=NC=C(C=N3)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 151/36 93.5 1 linker/linker_680.sdf warhead/warhead_679.sdf e3_ligand/e3_ligand_27.sdf 680 P53350 Polo-like kinase 1 PLK1 PLK STPK13 CC[C@H]1N(C2CCCC2)C3=NC(NC4=CC=C(C(NCCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)C=C4OC)=NC=C3N(C)C1=O CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-3-methoxybenzamide HBL-4 HBL-4 CC[C@@H]1C(N(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4OC)C(N[R1])=O)C)=O CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C3C(=N2)N([C@@H](C(=O)N3C)CC)C4CCCC4)OC CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10-20 4.48/6.21/6.94 5.876666666666668 1 linker/linker_1.sdf warhead/warhead_681.sdf e3_ligand/e3_ligand_7.sdf 681 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC[C@H]1N(C2CCCC2)C3=NC(NC4=CC=C(C(NCCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)C=C4OC)=NC=C3N(C)C1=O CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-3-methoxybenzamide HBL-4 HBL-4 CC[C@@H]1C(N(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4OC)C(N[R1])=O)C)=O CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C3C(=N2)N([C@@H](C(=O)N3C)CC)C4CCCC4)OC CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 4.48/6.21/6.94 5.0 5.876666666666668 1 linker/linker_1.sdf warhead/warhead_681.sdf e3_ligand/e3_ligand_7.sdf 682 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC[C@H]1N(C2=NC(NC3=CC=C(C=C3OC)C(NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(N(C6CCC(NC6=O)=O)C5=O)=O)=O)=NC=C2N(C1=O)C)C7CCCC7 CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide HBL-5 HBL-5 CC[C@@H]1C(N(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4OC)C(N[R1])=O)C)=O CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C3C(=N2)N([C@@H](C(=O)N3C)CC)C4CCCC4)OC CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.38 8.38 1 linker/linker_238.sdf warhead/warhead_681.sdf e3_ligand/e3_ligand_7.sdf 683 P53350 Polo-like kinase 1 PLK1 PLK STPK13 CC[C@H]1N(C2=NC(NC3=CC=C(C=C3OC)C(NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(N(C6CCC(NC6=O)=O)C5=O)=O)=O)=NC=C2N(C1=O)C)C7CCCC7 CC[C@@H]1C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)NCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3OC)N=C2N1C1CCCC1 4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide HBL-5 HBL-5 CC[C@@H]1C(N(C2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4OC)C(N[R1])=O)C)=O CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C3C(=N2)N([C@@H](C(=O)N3C)CC)C4CCCC4)OC CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.38 8.38 1 linker/linker_238.sdf warhead/warhead_681.sdf e3_ligand/e3_ligand_7.sdf 684 P03372 Estrogen receptor ER ESR1 NR3A1 OC1=CC=C2C(SC(C3=CC=C(O)C=C3)=C2C(C4=CC=C(C(N/N=C/C5=CC=C(OCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C(C=C7)=CC=C7C(SC=N8)=C8C)=O)=O)=O)C=C5)=O)C=C4)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[5-[4-[(E)-[[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]benzoyl]hydrazinylidene]methyl]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide A3 O=C(C1=C(SC2=CC(O)=CC=C12)C3=CC=C(C=C3)O)C4=CC=C([R1])C=C4 O=CN/N=C/C1=CC=C(OCCCC)C=C1 O=C([R1])N/N=C/C(C=C1)=CC=C1OCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O CCCCOC1=CC=C(/C=N/NC=O)C=C1 [R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.7/10.3 69.1/65.2 9.0 67.15 1 linker/linker_685.sdf warhead/warhead_685.sdf e3_ligand/e3_ligand_23.sdf 685 P03372 Estrogen receptor ER ESR1 NR3A1 OC1=CC=C2C(SC(C3=CC=C(C=C3)O)=C2OC4=CC=C(C=C4)C(N/N=C/C5=CC=C(C=C5)OCCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)O)=O)C(C)(C)C)=O)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(/C=N/NC(=O)C4=CC=C(OC5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[4-[4-[(E)-[[4-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]benzoyl]hydrazinylidene]methyl]phenoxy]butanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C2 OC1=CC=C(C=C1)C2=C(C3=CC=C(C=C3S2)O)OC4=CC=C([R1])C=C4 O=CN/N=C/C1=CC=C(OCCC)C=C1 O=C([R1])N/N=C/C(C=C1)=CC=C1OCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)OC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O CCCOC1=CC=C(/C=N/NC=O)C=C1 [R1]C(=O)N/N=C/C1=CC=C(C=C1)OCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5.2 5.2 1 linker/linker_686.sdf warhead/warhead_686.sdf e3_ligand/e3_ligand_23.sdf 686 P03372 Estrogen receptor ER ESR1 NR3A1 OC1=CC=C2C(SC(C3=CC=C(C=C3)O)=C2C(C4=CC=C(C=C4)C(NCCC5=CC=C(C=C5)OCCCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)O)=O)C(C)(C)C)=O)=O)=O)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(CCNC(=O)C4=CC=C(C(=O)C5=C(C6=CC=C(O)C=C6)SC6=CC(O)=CC=C56)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[5-[4-[2-[[4-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophene-3-carbonyl]benzoyl]amino]ethyl]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide AM-A3 AM-A3 O=C(C1=C(SC2=CC(O)=CC=C12)C3=CC=C(C=C3)O)C4=CC=C([R1])C=C4 CCCCOC(C=C1)=CC=C1CCNC=O O=C([R1])NCCC(C=C1)=CC=C1OCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O CCCCOC1=CC=C(CCNC=O)C=C1 [R1]C(=O)NCCC1=CC=C(C=C1)OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.1 13.2/17 1.1 15.1 1 linker/linker_687.sdf warhead/warhead_685.sdf e3_ligand/e3_ligand_23.sdf 687 O75530 Polycomb protein EED EED WAIT-1 CC(C)([C@H](NC(CCCNC(C1=CC=C(C2=CN=C(NCC3=CC=CO3)N4C2=NN=C4)C=C1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC6852 UNC6852 [R1]C1=CC=C(C=C1)C2=CN=C(N3C=NN=C23)NCC4=CC=CO4 O=CNCCC O=C([R1])NCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 790/610 700.0 1 linker/linker_688.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 688 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C)([C@H](NC(CCCNC(C1=CC=C(C2=CN=C(NCC3=CC=CO3)N4C2=NN=C4)C=C1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC6852 UNC6852 [R1]C1=CC=C(C=C1)C2=CN=C(N3C=NN=C23)NCC4=CC=CO4 O=CNCCC O=C([R1])NCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 300/670 485.0 1 linker/linker_688.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 689 Q15022 Polycomb protein SUZ12 SUZ12 CHET9 JJAZ1 CC(C)([C@H](NC(CCCNC(C1=CC=C(C2=CN=C(NCC3=CC=CO3)N4C2=NN=C4)C=C1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC6852 UNC6852 [R1]C1=CC=C(C=C1)C2=CN=C(N3C=NN=C23)NCC4=CC=CO4 O=CNCCC O=C([R1])NCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C (n/a)/590 590.0 1 linker/linker_688.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 690 O75530 Polycomb protein EED EED WAIT-1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCNC(C4=CC=C(C=C4)C5=CN=C(N6C5=NN=C6)NCC7=CC=CO7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC6852 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CCCNC=O O=C([R1])NCCC[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 610 90 610.0 90.0 1 linker/linker_688.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 691 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCNC(C4=CC=C(C=C4)C5=CN=C(N6C5=NN=C6)NCC7=CC=CO7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC6852 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CCCNC=O O=C([R1])NCCC[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 670 53 670.0 53.0 1 linker/linker_688.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 692 P01116 GTPase Kras G12C KRAS G12C FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(N=C2N5CCN(CC5)C(C=C)=O)NCCCN6CCN(CCCNC7=CC=CC8=C7C(N(C9CCC(NC9=O)=O)C8=O)=O)CC6 C=CC(=O)N1CCN(C2=NC(NCCCN3CCN(CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 4-[3-[4-[3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]propyl]piperazin-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 13(XY-4-88) XY-4-88 C=CC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCCN1CCN(CCC)CC1 [R1]NCCCN(CC1)CCN1CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)C=C)Cl)C4=CC(=CC5=CC=CC=C54)O)F CCCN1CCN(CCCN)CC1 [R1]NCCCN1CCN(CC1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 510/4140 2325.0 0 linker/linker_693.sdf warhead/warhead_693.sdf e3_ligand/e3_ligand_7.sdf 693 Q96SW2 Cereblon CRBN O=C(N1C2C(NC(CC2)=O)=O)C3=C(C(NCCNC(COCCCCCOCCOCCCCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)=O)=O)=O)=CC=C3)C1=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOCCCCCOCC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-[5-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethoxy]pentoxy]ethoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14a O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCNC(COCCCCCOCCOCCCCCOC)=O O=C(COCCCCCOCCOCCCCCOC[R2])NCC[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCNC(=O)COCCCCCOCCOCCCCCOC [R1]CCNC(=O)COCCCCCOCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200/230 215.0 1 linker/linker_694.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 694 P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A FKBP12 FKBP1A C[C@@H]1CC[C@H]2C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(C[C@@H]([C@@H](C[C@@H]3CC[C@@H](OCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)N=N4)[C@H](OC)C3)C)OC([C@@H]8CCCCN8C(C([C@]1(O)O2)=O)=O)=O)=O)=O CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCOCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone RC32 RC32 CO[C@H]1C[C@@H]2CC[C@H]([C@@](O2)(C(C(N3CCCC[C@H]3C(O[C@@H](CC([C@@H](/C=C([C@H]([C@H](C([C@@H](C[C@@H](/C=C/C=C/C=C1\C)C)C)=O)OC)O)\C)C)=O)[C@@H](C[C@@H]4CC[C@H]([C@@H](C4)OC)O[R1])C)=O)=O)=O)O)C CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.27 0.27 1 linker/linker_695.sdf warhead/warhead_695.sdf e3_ligand/e3_ligand_7.sdf 695 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK O=S(C1=CC2=C(NC3=CC4=C(C=C3)SC=N4)C=CN=C2C=C1OCCOCCOCCOCCOC5=CC=C(C[C@H]6C(N[C@@H]7CCCC8=CC=CC=C87)=O)C(CN6C([C@H](C(C)(C)C)NC([C@H](C)NC)=O)=O)=C5)(C(C)(C)C)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOC3=CC4=NC=CC(NC5=CC=C6SC=NC6=C5)=C4C=C3S(=O)(=O)C(C)(C)C)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-7-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide PROTAC 2 CC(C)(S(=O)(C1=CC2=C(C=CN=C2C=C1O[R1])NC3=CC=C4SC=NC4=C3)=O)C CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1CC2=CC([R2])=CC=C2C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C43)=O)=O)=O)C cIAP1 Q13490 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 0.4 0.4 1 linker/linker_204.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_210.sdf 696 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK O=S(C1=CC2=C(NC3=CC4=C(C=C3)SC=N4)C=CN=C2C=C1OCCOCCOCCOCCOCC(NC5=CC=CC6=C5CN(C6=O)C7CCC(NC7=O)=O)=O)(C(C)(C)C)=O CC(C)(C)S(=O)(=O)C1=CC2=C(NC3=CC=C4SC=NC4=C3)C=CN=C2C=C1OCCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PROTAC 3 CC(C)(S(=O)(C1=CC2=C(C=CN=C2C=C1O[R1])NC3=CC=C4SC=NC4=C3)=O)C CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2.5 2.5 1 linker/linker_555.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_17.sdf 697 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK O=S(C1=CC2=C(N=CN=C2C=C1OCCN3CCN(C4=NC=C(C(N(CC5)CCC5[C@@H](C(N6CCC[C@H]6C7=NC(C(C8=CC=C(C=C8)F)=O)=CS7)=O)NC([C@@H](NC)C)=O)=O)C=N4)CC3)NC9=NNC(C)=C9C)(C(C)(C)C)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide PROTAC 4 CC1=C(C(NC2=NC=NC3=CC(O[R1])=C(C=C23)S(=O)(C(C)(C)C)=O)=NN1)C CCN1CCN(C2=NC=C(C=O)C=N2)CC1 O=C([R2])C(C=N1)=CN=C1N(CC2)CCN2CC[R1] CN[C@H](C(N[C@@H](C1CCN([R2])CC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=C(C=C4)F)=O)=CS3)=O)=O)C IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCN1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CCN1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 12.6 12.6 1 linker/linker_698.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 698 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 11 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(N2CCN(CC)CC2)N=C1 O=C([R2])C1=CN=C(N2CCN(CC[R1])CC2)N=C1 [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCN1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CCN1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 20 20.0 1 linker/linker_698.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 699 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK O=S(C1=CC2=C(NC3=NNC(C)=C3C)N=CN=C2C=C1OCCCN4CCN(CC4)C5=NC=C(N=C5)C(N[C@H](CN6C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)C[C@H]6C(NC7=C(F)C=CC=C7F)=O)=O)(C(C)(C)C)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C 5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide PROTAC 6 CC1=C(C(NC2=NC=NC3=CC(O[R1])=C(C=C23)S(=O)(C(C)(C)C)=O)=NN1)C CCCN1CCN(CC1)C2=NC=C(N=C2)C=O O=C([R2])C(N=C1)=CN=C1N(CC2)CCN2CCC[R1] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(NC2=C(C=CC=C2F)F)=O)N[R2])=O)=O)C cIAP1 Q13490 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CN=C(C=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 0.4 0.4 1 linker/linker_700.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_605.sdf 700 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)NC1=C(F)C=CC=C1F)C(C)(C)C 5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-5-[(2,6-difluorophenyl)carbamoyl]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide 20 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(C=N1)N2CCN(CC2)CCC O=C([R2])C1=CN=C(C=N1)N2CCN(CC2)CCC[R1] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CN=C(C=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2] [R2]N[C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)NC2=C(C=CC=C2F)F 0.79 3.16 0.79 3.16 1 linker/linker_700.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_605.sdf 701 Q12834 Cell-division cycle protein 20 Cdc20 p55CDC ClC(Cl)(Cl)C(NC(OCCCNC(CCOCCOCCOCCOCCOCCC(N[C@H](C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)C(C)(C)C)=O)=O)=O)NC4=NC=CC=N4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOC(=O)NC(NC3=NC=CC=N3)C(Cl)(Cl)Cl)C(C)(C)C)C=C2)SC=N1 3-[3-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate CP5V CP5V O=C(NC(C(Cl)(Cl)Cl)NC1=NC=CC=N1)OCCCN[R1] O=CCCOCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NCCCOC(=O)NC(C(Cl)(Cl)Cl)NC1=NC=CC=N1 CCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1600/1600 2600/1990 1600.0 2295.0 0 linker/linker_702.sdf warhead/warhead_702.sdf e3_ligand/e3_ligand_27.sdf 702 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=CC=C1)N(CCCCC2=CN(CCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)N=N2)CC6=CC=C(C=C6)C(NO)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCN4C=C(CCCCN(CC5=CC=C(C(=O)NO)C=C5)C(=O)NC5=CC=CC=C5)N=N4)=C3C2=O)C(=O)N1 4-[[4-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl-(phenylcarbamoyl)amino]methyl]-N-hydroxybenzamide NP8 NP8 O=C(NC1=CC=CC=C1)N([R1])CC2=CC=C(C=C2)C(NO)=O CCCCC1=CN(CCOCCOCC)N=N1 [R2]CCOCCOCCN(N=N1)C=C1CCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2 CCCCC1=CN(CCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_703.sdf warhead/warhead_703.sdf e3_ligand/e3_ligand_7.sdf 703 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-158 TD-158 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCCCCCCC [R1]CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 44.5 44.5 1 linker/linker_33.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 704 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-165 TD-165 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCCCCCCCCC [R1]CCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20.4 20.4 1 linker/linker_35.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 705 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-156 TD-156 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCCCCC [R1]CCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100.6 100.6 1 linker/linker_12.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 706 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCC(NCCCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-759 TD-759 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CC(NCCCCCCCCCC)=O O=C(C[R1])NCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28.8 28.8 1 linker/linker_707.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 707 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3OCC(NCCCCCCCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide TD-760 TD-760 O=C1CCC(C(N1)=O)N2C(C3=CC=CC([R1])=C3C2=O)=O OCC(NCCCCCCCCCC)=O O=C(CO[R1])NCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCCCCCNC(=O)CO [R1]OCC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 367.7 367.7 1 linker/linker_708.sdf warhead/warhead_708.sdf e3_ligand/e3_ligand_27.sdf 708 Q96SW2 Cereblon CRBN O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NC(CCCCCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C(C)(C)C)C=C2)SC=N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]heptanediamide TD-033 TD-033 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R1] CCCCCC=O O=C([R1])CCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2546.1 2546.1 0 linker/linker_255.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_27.sdf 709 P03372 Estrogen receptor ER ESR1 NR3A1 CN(C(COCCOCCOCCOC1=CC=CC(C(C2=CSC([C@@H]3CCCN3C([C@H](C4CCCCC4)NC([C@@H](NC)C)=O)=O)=N2)=O)=C1)=O)CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5 CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-87 SNIPER(ER)-87 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O O=CCOCCOCCOCC O=C([R1])COCCOCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O CCOCCOCCOCC=O [R1]C(=O)COCCOCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC <3/83 43.0 1 linker/linker_554.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_710.sdf 710 P03372 Estrogen receptor ER ESR1 NR3A1 CN(C(COCCOCCOCCOC1=CC=CC(C(C2=CSC([C@@H]3CCCN3C([C@H](C4CCCCC4)NC([C@@H](NC)C)=O)=O)=N2)=O)=C1)=O)CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5 CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CSC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=N3)=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-87 SNIPER(ER)-87 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O O=CCOCCOCCOCC O=C([R1])COCCOCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O CCOCCOCCOCC=O [R1]C(=O)COCCOCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 3 15.6/9.6 3.0 12.6 1 linker/linker_554.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_710.sdf 711 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=CC(C4=CC(C(NCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)=O)=C(F)C=C4)=CN=C3)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCNC(=O)C2=CC(C3=CN=CC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=C3)=CC=C2F)C=C1)C1=CC=CC=C1 5-[5-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]pyridin-3-yl]-2-fluoro-N-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]benzamide SNIPER(ER)-104 SNIPER(ER)-104 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O NCCOCCOCCOCC=O O=C([R1])COCCOCCOCCN[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=CN=CC(C4=CC=C(C(C([R2])=O)=C4)F)=C3)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O NCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCN[R2] [R2]C(=O)C1=C(C=CC(=C1)C2=CC(=CN=C2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC)F >100 100.0 1 linker/linker_712.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_712.sdf 712 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C(C)C)C(N1CCC[C@H]1C2=CC(N3C(C=CC=C4C(NCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)=O)=C4C=C3)=CN=C2)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCNC(=O)C2=CC=CC3=C2C=CN3C2=CN=CC([C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)C)=C2)C=C1)C1=CC=CC=C1 N-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-1-[5-[(2S)-1-[(2S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]pyridin-3-yl]indole-4-carboxamide SNIPER(ER)-105 SNIPER(ER)-105 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O NCCOCCOCCOCC=O O=C([R1])COCCOCCOCCN[R2] CN[C@H](C(N[C@@H](C(C)C)C(N1CCC[C@H]1C2=CN=CC(N3C=CC4=C(C=CC=C43)C([R2])=O)=C2)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O NCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCN[R2] [R2]C(=O)C1=C2C=CN(C2=CC=C1)C3=CN=CC(=C3)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC <3/<3 3.0 1 linker/linker_712.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_713.sdf 713 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@H](NC)C(N[C@H](C(N1C[C@H](C[C@H]1C(N[C@@H]2CCCC3=C2C=CC=C3)=O)OC4=CC(OCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)=CC=C4)=O)C8CCCCC8)=O CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)=C2)C=C1)C1=CC=CC=C1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide SNIPER(ER)-110 SNIPER(ER)-110 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)OC5=CC([R2])=CC=C5)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 <3/7.7 5.35 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_714.sdf 714 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@H](NC)C(N[C@H](C(N1C[C@H](C[C@H]1C(N[C@@H]2CCCC3=C2C=CC=C3)=O)OC4=CC=C(OCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)C=C4)=O)C8CCCCC8)=O CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(O[C@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)C=C2)C=C1)C1=CC=CC=C1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[4-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide SNIPER(ER)-113 SNIPER(ER)-113 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)OC5=CC=C([R2])C=C5)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC=C(C=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 <3/13.3 8.15 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_715.sdf 715 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C1CCCCC1)C(N[C@H]2C[C@@H]3CN([C@H]2CC3)CCC4=CC(OCCOCCOCCOCC(N(C)CCOC5=CC=C(C=C5)/C(C6=CC=C(O)C=C6)=C(CC)\C7=CC=CC=C7)=O)=CC=C4)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(CCN3C[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C4)=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[[(1S,4R,6S)-2-[2-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-2-azabicyclo[2.2.2]octan-6-yl]amino]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-118 SNIPER(ER)-118 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N[C@H]2C[C@H]3CC[C@@H]2N(C3)CCC4=CC=CC([R2])=C4)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)CCN2C[C@@H]3CC[C@H]2[C@H](C3)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC >100 100.0 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_716.sdf 716 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@H](NC)C(N[C@H](C(N1C[C@H](C[C@H]1C(N[C@@H]2CCCC3=C2C=CC=C3)=O)OC4=C(OCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)C=CC=C4)=O)C8CCCCC8)=O CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC=C2O[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC4=CC=CC=C43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C2)C=C1)C1=CC=CC=C1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[2-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide SNIPER(ER)-119 SNIPER(ER)-119 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)OC5=C([R2])C=CC=C5)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC=CC=C1O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 4/15.7 9.85 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_717.sdf 717 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C1CCCCC1)C(N[C@H]2C[C@@H]3CN([C@H]2CC3)CCC4=CC=C(C=C4)OCCOCCOCCOCC(N(C)CCOC5=CC=C(C=C5)/C(C6=CC=C(O)C=C6)=C(CC)\C7=CC=CC=C7)=O)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(CCN3C[C@@H]4CC[C@H]3[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCCCC3)C4)C=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[[(1S,4R,6S)-2-[2-[4-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-2-azabicyclo[2.2.2]octan-6-yl]amino]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-121 SNIPER(ER)-121 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N[C@H]2C[C@H]3CC[C@@H]2N(C3)CCC4=CC=C([R2])C=C4)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC=C(C=C1)CCN2C[C@@H]3CC[C@H]2[C@H](C3)NC(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC >100 100.0 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_718.sdf 718 P03372 Estrogen receptor ER ESR1 NR3A1 CN(CCOC1=CC=C(C=C1)/C(C2=CC=C(O)C=C2)=C(CC)\C3=CC=CC=C3)C(COCCOCCOCCOC4=CC(C(C5=CN=CC([C@@H]6CCCN6C([C@@H](NC([C@H](C)NC)=O)C7CCCCC7)=O)=C5)=O)=CC=C4)=O CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(C(=O)C3=CN=CC([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)=C3)=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[5-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]benzoyl]pyridin-3-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-126 SNIPER(ER)-126 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O O=CCOCCOCCOCCO O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=CN=CC(C(C4=CC([R2])=CC=C4)=O)=C3)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)C(=O)C2=CC(=CN=C2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC <3/3.7 3.35 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_719.sdf 719 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C1CCN(C(COCCOCCOCCOCC(N(CCOC2=CC=C(/C(C3=CC=C(C=C3)O)=C(C4=CC=CC=C4)/CC)C=C2)C)=O)=O)CC1)C(N5CCC[C@H]5C6=NC(C(C7=CC=CC=C7)=NC=C8)=C8S6)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOCC(=O)N2CCC([C@H](NC(=O)[C@H](C)NC)C(=O)N3CCC[C@H]3C3=NC4=C(C5=CC=CC=C5)N=CC=C4S3)CC2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-[1-[2-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide SNIPER(ER)-130 SNIPER(ER)-130 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O O=CCOCCOCCOCCOCC=O O=C([R1])COCCOCCOCCOCC([R2])=O CN[C@H](C(N[C@@H](C1CCN([R2])CC1)C(N2CCC[C@H]2C3=NC4=C(N=CC=C4S3)C5=CC=CC=C5)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCOCC(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC4=C(S3)C=CN=C4C5=CC=CC=C5)NC(=O)[C@H](C)NC 36.9 36.9 1 linker/linker_720.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_720.sdf 720 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](CCCCNC(COCCOCCOCCOCC(N(CCOC1=CC=C(/C(C2=CC=C(C=C2)O)=C(C3=CC=CC=C3)/CC)C=C1)C)=O)=O)C(N4CCC[C@H]4C(NC5=C(C6=CC=CC=C6)N=NS5)=O)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2CCC[C@H]2C(=O)NC2=C(C3=CC=CC=C3)N=NS2)C=C1)C1=CC=CC=C1 (2S)-1-[(2S)-6-[[2-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide SNIPER(ER)-131 SNIPER(ER)-131 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O CCCCNC(COCCOCCOCCOCC=O)=O O=C(COCCOCCOCCOCC([R1])=O)NCCCC[R2] CN[C@H](C(NCC(N1CCC[C@H]1C(NC2=C(N=NS2)C3=CC=CC=C3)=O)=O)=O)[R2] XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O CCCCNC(=O)COCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCOCC(=O)NCCCC[R2] [R2][C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC2=C(N=NS2)C3=CC=CC=C3)NC 33.8 33.8 1 linker/linker_721.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_721.sdf 721 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@H](NC)C(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H]2CCCC3=C2C=CC=C3)=O)OC4=CC(OCCOCCOCCOCC(N(CCOC5=CC=C(/C(C6=CC=C(C=C6)O)=C(C7=CC=CC=C7)/CC)C=C5)C)=O)=CC=C4)=O)C8CCCCC8)=O CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=CC(O[C@@H]3C[C@@H](C(=O)N[C@@H]4CCCC5=CC=CC=C54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)=C2)C=C1)C1=CC=CC=C1 (2S,4R)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide SNIPER(ER)-134 SNIPER(ER)-134 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O OCCOCCOCCOCC=O O=C([R1])COCCOCCOCCO[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2C[C@@H](C[C@H]2C(N[C@@H]3CCCC4=CC=CC=C43)=O)OC5=CC=CC([R2])=C5)=O)=O)C XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)O[C@@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 >100 100.0 1 linker/linker_714.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_722.sdf 722 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H](C(N[C@@H](C1CCCCC1)C(N2C[C@@H](OC3=CC=C(OCCOCCOCCOCC(N(CCOC4=CC=C(/C(C5=CC=C(C=C5)O)=C(C6=CC=CC=C6)/CC)C=C4)C)=O)C=C3)C[C@H]2C7=NC(C8=C(C=CC=C9)C9=C(F)C=C8)=CS7)=O)=O)NC CC/C(=C(\C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)COCCOCCOCCOC2=CC=C(O[C@H]3C[C@@H](C4=NC(C5=CC=C(F)C6=CC=CC=C56)=CS4)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C4CCCCC4)C3)C=C2)C=C1)C1=CC=CC=C1 (2S)-N-[(1S)-1-cyclohexyl-2-[(2S,4S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]-4-[4-[2-[2-[2-[2-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenoxy]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide SNIPER(ER)-136 SNIPER(ER)-136 CC/C(C1=CC=CC=C1)=C(C2=CC=C(C=C2)OCCN([R1])C)\C3=CC=C(C=C3)O O=CCOCCOCCOCCOC(C=C1)=CC=C1O O=C([R1])COCCOCCOCCOC1=CC=C(C=C1)O[R2] FC1=CC=C(C2=CSC([C@H]3N(C([C@@H](NC([C@@H](NC)C)=O)C4CCCCC4)=O)C[C@@H]([R2])C3)=N2)C5=CC=CC=C51 XIAP P98170 [R1]N(C)CCOC1=CC=C(C=C1)/C(=C(/CC)\C2=CC=CC=C2)/C3=CC=C(C=C3)O O=CCOCCOCCOCCOC1=CC=C(O)C=C1 [R1]C(=O)COCCOCCOCCOC1=CC=C(C=C1)O[R2] [R2][C@H]1C[C@H](N(C1)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C)NC)C3=NC(=CS3)C4=CC=C(C5=CC=CC=C54)F >100 100.0 1 linker/linker_723.sdf warhead/warhead_710.sdf e3_ligand/e3_ligand_723.sdf 723 P10275 Androgen receptor AR DHTR NR3C4 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(CN2C(C)=C(C#N)C(=C2C)C2=CC=C(C=C2)C#N)C=C1 CC1=C(C#N)C(C2=CC=C(C#N)C=C2)=C(C)N1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1 N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[[3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl]methyl]benzamide SNIPER(AR)-2 SNIPER(AR)-2 CC1=C(C(C2=CC=C(C=C2)C#N)=C(N1CC3=CC=C([R1])C=C3)C)C#N NCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]C1=CC=C(C=C1)CN2C(=C(C(=C2C)C3=CC=C(C=C3)C#N)C#N)C NCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 21600 21600.0 0 linker/linker_724.sdf warhead/warhead_724.sdf e3_ligand/e3_ligand_455.sdf 724 P10275 Androgen receptor AR DHTR NR3C4 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(C=C1)S(=O)(=O)CC(C)(O)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(S(=O)(=O)CC(C)(O)C(=O)NC2=CC=C(C#N)C(C(F)(F)F)=C2)C=C1 N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[3-[4-cyano-3-(trifluoromethyl)anilino]-2-hydroxy-2-methyl-3-oxopropyl]sulfonylbenzamide SNIPER(AR)-8 SNIPER(AR)-8 CC(CS(=O)(C1=CC=C([R1])C=C1)=O)(C(NC2=CC=C(C(C(F)(F)F)=C2)C#N)=O)O NCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]C1=CC=C(C=C1)S(=O)(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O NCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O >30000 30000.0 0 linker/linker_724.sdf warhead/warhead_725.sdf e3_ligand/e3_ligand_455.sdf 725 P10275 Androgen receptor AR DHTR NR3C4 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(CC2=C(C)N(N=C2C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C=C1 CC1=NN(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(C)=C1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1 N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[[1-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazol-4-yl]methyl]benzamide SNIPER(AR)-23 SNIPER(AR)-23 CC1=NN(C(C)=C1CC2=CC=C([R1])C=C2)C3=CC=C(C(C(F)(F)F)=C3)C#N NCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]C1=CC=C(C=C1)CC2=C(N(N=C2C)C3=CC(=C(C=C3)C#N)C(F)(F)F)C NCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 11700 11700.0 0 linker/linker_724.sdf warhead/warhead_726.sdf e3_ligand/e3_ligand_455.sdf 726 P10275 Androgen receptor AR DHTR NR3C4 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(CCC2=C(C)N(N=C2C)C2=CC(Cl)=C(C=C2)C#N)C=C1 CC1=NN(C2=CC=C(C#N)C(Cl)=C2)C(C)=C1CCC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1 N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[2-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]ethyl]benzamide SNIPER(AR)-26 SNIPER(AR)-26 CC1=NN(C(C)=C1CCC2=CC=C([R1])C=C2)C3=CC=C(C(Cl)=C3)C#N NCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]C1=CC=C(C=C1)CCC2=C(N(N=C2C)C3=CC(=C(C=C3)C#N)Cl)C NCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 20500 20500.0 0 linker/linker_724.sdf warhead/warhead_727.sdf e3_ligand/e3_ligand_455.sdf 727 P10275 Androgen receptor AR DHTR NR3C4 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC(=O)C1=CC=C(CC2=C(C)N(N=C2C)C2=C(Cl)C=C(C=C2)C#N)C=C1 CC1=NN(C2=CC=C(C#N)C=C2Cl)C(C)=C1CC1=CC=C(C(=O)NCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC2=CC=CC=C2)C=C1 N-[2-[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[[1-(2-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide SNIPER(AR)-27 SNIPER(AR)-27 CC1=NN(C(C)=C1CC2=CC=C([R1])C=C2)C3=CC=C(C=C3Cl)C#N NCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCN[R2] CC(C[C@H](NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O)C([R2])=O)C cIAP1 Q13490 [R1]C1=CC=C(C=C1)CC2=C(N(N=C2C)C3=C(C=C(C=C3)C#N)Cl)C NCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O >30000 30000.0 0 linker/linker_724.sdf warhead/warhead_728.sdf e3_ligand/e3_ligand_455.sdf 728 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E FC1=C(C(C2=CNC3=C2C=C(C4=CC=C(CNC(CCCCNC5=CC6=C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)C=C5)=O)C=C4)C=N3)=O)C(F)=CC=C1NS(=O)(CCC)=O CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(CNC(=O)CCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)C=C23)=C1F N-[[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentanamide 12 CCCS(=O)(NC1=CC=C(C(C(C2=CNC3=NC=C(C=C23)C4=CC=C([R1])C=C4)=O)=C1F)F)=O CNC(CCCC)=O O=C(NC[R1])CCCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CCCCC(=O)NC [R1]CNC(=O)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 500/124 312.0 1 linker/linker_729.sdf warhead/warhead_729.sdf e3_ligand/e3_ligand_250.sdf 729 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 2 Pmd-PEG3-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_730.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 730 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E FC(C(NS(=O)(CCC)=O)=CC=C1F)=C1N2C=C(C3=CN=CN=C3)C4=C2C=CC(N(C)C5CCN(C(CCOCCOCCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=N4 CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 23 CCCS(=O)(NC1=CC=C(C(N2C=C(C3=NC(N(C4CCN([R1])CC4)C)=CC=C32)C5=CN=CN=C5)=C1F)F)=O CCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46.5/51 48.75 1 linker/linker_730.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 731 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 3 P4B [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15 71/75/147 15.0 97.66666666666669 1 linker/linker_732.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 732 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 4 P5B [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_702.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 733 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCOCCOCCOCCOCCC(N2CCC(N(C3=CC=C(N(C4=C(F)C=CC(NS(=O)(CCC)=O)=C4F)C=C5C6=CN=CN=C6)C5=N3)C)CC2)=O)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=CC=C32)=C1F (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[3-[4-[[1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 VH-PEG4-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100 100.0 1 linker/linker_732.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_27.sdf 734 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P13A P13A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCC [R1]OCCCC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_735.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 735 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P14A P14A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCC [R1]OCCCCC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_736.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 736 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P15A P15A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCC [R1]OCCCCCC(N=N1)=CN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3000 3000.0 0 linker/linker_737.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 737 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P16A P16A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_738.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 738 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P17A P17A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_739.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 739 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P18A P18A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_740.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 740 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P19A P19A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_741.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 741 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P20A P20A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_742.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 742 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P21A P21A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1800 1800.0 0 linker/linker_743.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 743 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P22A P22A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_744.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 744 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P23A P23A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 400 400.0 1 linker/linker_745.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 745 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P24A P24A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_746.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 746 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P25A P25A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 200 200.0 1 linker/linker_747.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 747 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P26A P26A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_748.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 748 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P27A P27A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 600 600.0 1 linker/linker_749.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 749 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P14A1 P14A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCC [R1]OCCCC(N=N1)=CN1CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 400 400.0 1 linker/linker_750.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 750 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P15A1 P15A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCCC [R1]OCCCC(N=N1)=CN1CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 200 200.0 1 linker/linker_751.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 751 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P16A1 P16A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCCCCCC [R1]OCCCCC(N=N1)=CN1CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 300 300.0 1 linker/linker_752.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 752 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P17A1 P17A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCCCCCC [R1]OCCCCCC(N=N1)=CN1CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 400 400.0 1 linker/linker_753.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 753 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCCC4=CN(CCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[6-[1-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]triazol-4-yl]hexoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P18A1 P18A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCCC1=CN(N=N1)CCCCCCC [R1]OCCCCCCC(N=N1)=CN1CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCCN1C=C(CCCCCCO)N=N1 [R1]OCCCCCCC1=CN(N=N1)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 300 300.0 1 linker/linker_754.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 754 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(O)C[C@H](O)C[C@H](O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCCCC4=CN(CCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCCCC3=CN(CCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[7-[1-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]triazol-4-yl]heptoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P19A1 P19A1 CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCCCC1=CN(N=N1)CCCCCCC [R1]OCCCCCCCC(N=N1)=CN1CCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCCCCCN1C=C(CCCCCCCO)N=N1 [R1]OCCCCCCCC1=CN(N=N1)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_755.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_7.sdf 755 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCOCCNC5=CC6=C(C(N(C7CCC(NC7=O)=O)C6=O)=O)C=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P19AM P19AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_741.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 756 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCOCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P20AM P20AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_742.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 757 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCOCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P21AM P21AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_743.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 758 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P22AM P22AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 300 300.0 1 linker/linker_744.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 759 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[4-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P23AM P23AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCCO)N=N1 [R1]OCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_745.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 760 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCCCC3=CN(CCOCCOCCOCCOCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[5-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid P24AM P24AM CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R1]OCCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCOCCOCCOCCOCCN1C=C(CCCCCO)N=N1 [R1]OCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_746.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_250.sdf 761 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCC#CC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L13A L13A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCC#C [R1]OCCCC(N=N1)=CN1CCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_762.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 762 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCOCC#CC5=C(CN(C6CCC(NC6=O)=O)C7=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]propyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L14A L14A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCOCC#C [R1]OCCCC(N=N1)=CN1CCCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_763.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 763 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCOCC#CC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]butyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L15A L15A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCOCC#C [R1]OCCCC(N=N1)=CN1CCCCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_764.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 764 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCOCC#CC5=C(CN(C6CCC(NC6=O)=O)C7=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[5-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]pentyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L16A L16A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCOCC#C [R1]OCCCC(N=N1)=CN1CCCCCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 300 300.0 1 linker/linker_765.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 765 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCOCC#CC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]hexyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L17A L17A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCCOCC#C [R1]OCCCC(N=N1)=CN1CCCCCCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 200 200.0 1 linker/linker_766.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 766 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCCOCC#CC5=C(CN(C6CCC(NC6=O)=O)C7=O)C7=CC=C5)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCOCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[7-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]heptyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L18A L18A CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCCCOCC#C [R1]OCCCC(N=N1)=CN1CCCCCCCOCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F C#CCOCCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 700 700.0 1 linker/linker_767.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 767 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]ethyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L13AR L13AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCOCCC [R1]OCCCC(N=N1)=CN1CCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_768.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 768 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]propyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L14AR L14AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCOCCC [R1]OCCCC(N=N1)=CN1CCCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_769.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 769 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]butyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L15AR L15AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCOCCC [R1]OCCCC(N=N1)=CN1CCCCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >3000 3000.0 0 linker/linker_770.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 770 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[5-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]pentyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L16AR L16AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCOCCC [R1]OCCCC(N=N1)=CN1CCCCCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2300 2300.0 0 linker/linker_771.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 771 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[6-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]hexyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L17AR L17AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCCOCCC [R1]OCCCC(N=N1)=CN1CCCCCCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_772.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 772 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O[C@@H](C[C@H](CC(O)=O)O)CCN1C(C2=CC=C(F)C=C2)=C(C3=CC=CC(OCCCC4=CN(CCCCCCCOCCCC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)N=N4)=C3)C(C(NC8=CC=CC=C8)=O)=C1C(C)C CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(C2=CC=CC(OCCCC3=CN(CCCCCCCOCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)=C2)=C(C2=CC=C(F)C=C2)N1CC[C@@H](O)C[C@@H](O)CC(=O)O (3R,5R)-7-[3-[3-[3-[1-[7-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propoxy]heptyl]triazol-4-yl]propoxy]phenyl]-2-(4-fluorophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid L18AR L18AR CC(C1=C(C(C2=CC([R1])=CC=C2)=C(N1CC[C@H](C[C@H](CC(O)=O)O)O)C3=CC=C(C=C3)F)C(NC4=CC=CC=C4)=O)C OCCCC1=CN(N=N1)CCCCCCCOCCC [R1]OCCCC(N=N1)=CN1CCCCCCCOCCC[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@H](C[C@H](CC(=O)O)O)O)C4=CC=C(C=C4)F CCCOCCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 600 600.0 1 linker/linker_773.sdf warhead/warhead_735.sdf e3_ligand/e3_ligand_18.sdf 773 P36507 Mitogen-activated protein kinase kinase 2 MEK2 MAP2K2 PRKMK2 O=C(NOCCCNCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)C4=CC=C(F)C(F)=C4NC5=CC=C(I)C=C5F CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxypropylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 MS432 O=C(C1=CC=C(C(F)=C1NC2=CC=C(C=C2F)I)F)NO[R1] CCCNCCCCCCCCCC [R1]CCCNCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCNCCC [R1]CCCNCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 17/9.3/11 12.433333333333332 1 linker/linker_774.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_27.sdf 774 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NOCCCNCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)C4=CC=C(F)C(F)=C4NC5=CC=C(I)C=C5F CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxypropylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 MS432 O=C(C1=CC=C(C(F)=C1NC2=CC=C(C=C2F)I)F)NO[R1] CCCNCCCCCCCCCC [R1]CCCNCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCNCCC [R1]CCCNCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31/31/18 26.666666666666668 1 linker/linker_774.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_27.sdf 775 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCN3N=NC(CNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12a CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCN1N=NC(C)=C1 [R1]OCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCO)N=N1 [R1]OCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.41 62.1/81.3 3.41 71.7 1 linker/linker_776.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 776 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCN3C=C(CNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]propoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12b CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCN1C=C(N=N1)C [R1]OCCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCO)N=N1 [R1]OCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 67.3/84.1 75.69999999999999 1 linker/linker_777.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 777 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCCN3N=NC(CNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12c CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCN1N=NC(C)=C1 [R1]OCCCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCO)N=N1 [R1]OCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 64.3/85 74.65 1 linker/linker_778.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 778 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCCC)NC2=CC=C(OCCCCCN3C=C(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]pentoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12d CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCCN1C=C(N=N1)C [R1]OCCCCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCCO)N=N1 [R1]OCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.64 74.9/82.7 1.64 78.80000000000001 1 linker/linker_779.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 779 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCCC)NC2=CC=C(OCCCCCN3C=C(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]pentoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12d CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCCN1C=C(N=N1)C [R1]OCCCCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCCO)N=N1 [R1]OCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.2/18 10.1 1 linker/linker_779.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 780 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCCC)NC2=CC=C(OCCCCCCN3C=C(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[6-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]hexoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12e CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCCCN1C=C(N=N1)C [R1]OCCCCCCN(N=N1)C=C1C[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCCCO)N=N1 [R1]OCCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 66.1/77.8 71.94999999999999 1 linker/linker_781.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 781 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCN3N=NC(CCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]ethoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12f CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCN1N=NC(CC)=C1 [R1]OCCN(N=N1)C=C1CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCC1=CN(CCO)N=N1 [R1]OCCN1C=C(N=N1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 49.3/81.8 65.55 0 linker/linker_782.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 782 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCN3C=C(CCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]propoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12g CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCN1C=C(N=N1)CC [R1]OCCCN(N=N1)C=C1CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCC1=CN(CCCO)N=N1 [R1]OCCCN1C=C(N=N1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 64.8/84.2 74.5 1 linker/linker_783.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 783 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCCN3N=NC(CCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12h CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCN1N=NC(CC)=C1 [R1]OCCCCN(N=N1)C=C1CC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCC1=CN(CCCCO)N=N1 [R1]OCCCCN1C=C(N=N1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 71.7/79.2 75.45 1 linker/linker_784.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 784 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCN3N=NC(CCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[2-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]triazol-1-yl]ethoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12i CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCN1N=NC(CCC)=C1 [R1]OCCN(N=N1)C=C1CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCC1=CN(CCO)N=N1 [R1]OCCN1C=C(N=N1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.54 70.6/83.1 2.54 76.85 1 linker/linker_785.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 785 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCN3C=C(CCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]triazol-1-yl]propoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12j CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCN1C=C(N=N1)CCC [R1]OCCCN(N=N1)C=C1CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCC1=CN(CCCO)N=N1 [R1]OCCCN1C=C(N=N1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.6/77.3 61.45 0 linker/linker_786.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 786 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCCN3N=NC(CCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1 4-[[butyl-[[4-[4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]triazol-1-yl]butoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12k CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCN1N=NC(CCC)=C1 [R1]OCCCCN(N=N1)C=C1CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCC1=CN(CCCCO)N=N1 [R1]OCCCCN1C=C(N=N1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50.9/75.7 63.3 0 linker/linker_787.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_7.sdf 787 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCN3N=NC(CNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]ethoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12l CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCN1N=NC(C)=C1 [R1]OCCN(N=N1)C=C1C[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCO)N=N1 [R1]OCCN1C=C(N=N1)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57.1/81.4 69.25 0 linker/linker_776.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 788 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCN3C=C(CNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)N=N3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]propoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12m CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCN1C=C(N=N1)C [R1]OCCCN(N=N1)C=C1C[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCO)N=N1 [R1]OCCCN1C=C(N=N1)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 60.3/81.2 70.75 1 linker/linker_777.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 789 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=C(C=C1)OCCCCN2N=NC(CNC3=CC(C4=O)=C(C(N4C5C(NC(CC5)=O)=O)=O)C=C3)=C2)N(CC6=CC=C(C=C6)C(NO)=O)CCCC CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]butoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12n CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCN1N=NC(C)=C1 [R1]OCCCCN(N=N1)C=C1C[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCO)N=N1 [R1]OCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 63.3/80.9 72.1 1 linker/linker_778.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 790 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCCC)NC2=CC=C(OCCCCCN3N=NC(CNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]pentoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12o CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCCN1N=NC(C)=C1 [R1]OCCCCCN(N=N1)C=C1C[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCCO)N=N1 [R1]OCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 69.9/84.7 77.30000000000001 1 linker/linker_779.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 791 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CC1=CC=C(C(NO)=O)C=C1)CCCC)NC2=CC=C(OCCCCCCN3N=NC(CNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCN2C=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[6-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]triazol-1-yl]hexoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12p CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCCCCN1N=NC(C)=C1 [R1]OCCCCCCN(N=N1)C=C1C[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CC1=CN(CCCCCCO)N=N1 [R1]OCCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70.8/83.5 77.15 1 linker/linker_781.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 792 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCN3N=NC(CCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCN2C=C(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[2-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]triazol-1-yl]ethoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12q CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCN1N=NC(CCC)=C1 [R1]OCCN(N=N1)C=C1CCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCC1=CN(CCO)N=N1 [R1]OCCN1C=C(N=N1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47.2/80.4 63.8 0 linker/linker_785.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 793 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(N(CCCC)CC1=CC=C(C(NO)=O)C=C1)NC2=CC=C(OCCCN3N=NC(CCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)=C3)C=C2 CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCN2C=C(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1 4-[[butyl-[[4-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]triazol-1-yl]propoxy]phenyl]carbamoyl]amino]methyl]-N-hydroxybenzamide 12r CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O OCCCN1N=NC(CCC)=C1 [R1]OCCCN(N=N1)C=C1CCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCC1=CN(CCCO)N=N1 [R1]OCCCN1C=C(N=N1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 60.9/81.9 71.4 1 linker/linker_786.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_250.sdf 794 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 CC(C)([C@H](NC(CCCCC1=CN(CCCCCCCCCCCOC(C=C2)=CC=C2NC(N(CC3=CC=C(C=C3)C(NO)=O)CCCC)=O)N=N1)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1 (2S,4R)-1-[(2S)-2-[5-[1-[11-[4-[[butyl-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamoyl]amino]phenoxy]undecyl]triazol-4-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3j CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O CCCCC1=CN(N=N1)CCCCCCCCCCCO [R1]OCCCCCCCCCCCN(N=N1)C=C1CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCCC1=CN(CCCCCCCCCCCO)N=N1 [R1]OCCCCCCCCCCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.1/4.3 5.699999999999999 1 linker/linker_795.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_27.sdf 795 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 CC(C)([C@H](NC(CCCCC1=CN(CCCCCCCCCCCCOC(C=C2)=CC=C2NC(N(CC3=CC=C(C=C3)C(NO)=O)CCCC)=O)N=N1)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C CCCCN(CC1=CC=C(C(=O)NO)C=C1)C(=O)NC1=CC=C(OCCCCCCCCCCCCN2C=C(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1 (2S,4R)-1-[(2S)-2-[5-[1-[12-[4-[[butyl-[[4-(hydroxycarbamoyl)phenyl]methyl]carbamoyl]amino]phenoxy]dodecyl]triazol-4-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3k CCCCN(C(NC1=CC=C([R1])C=C1)=O)CC2=CC=C(C=C2)C(NO)=O CCCCC1=CN(N=N1)CCCCCCCCCCCCO [R1]OCCCCCCCCCCCCN(N=N1)C=C1CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)N(CCCC)CC2=CC=C(C=C2)C(=O)NO CCCCC1=CN(CCCCCCCCCCCCO)N=N1 [R1]OCCCCCCCCCCCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11 11.0 1 linker/linker_796.sdf warhead/warhead_589.sdf e3_ligand/e3_ligand_27.sdf 796 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN(C(C1=C2C=C(N1)C(NCC3=CN(N=N3)CCOCC(NC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)=O)=O)C=C2C7=C(OC8=C(F)C=C(F)C=C8)C=CC(NS(=O)(CC)=O)=C7 CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1 4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-N-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethyl]triazol-4-yl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 32a CCS(=O)(NC1=CC=C(C(C2=CN(C(C3=C2C=C([R1])N3)=O)C)=C1)OC4=CC=C(C=C4F)F)=O O=CNCC1=CN(N=N1)CCOCC=O O=C([R2])COCCN1C=C(N=N1)CNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)NS(=O)(=O)CC)OC4=C(C=C(C=C4)F)F)C O=CCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 165/4090/6470 3575.0 0 linker/linker_797.sdf warhead/warhead_797.sdf e3_ligand/e3_ligand_17.sdf 797 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN(C(C1=C2C=C(N1)C(NCC3=CN(N=N3)CCOCCOCC(NC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)=O)=O)C=C2C7=C(OC8=C(F)C=C(F)C=C8)C=CC(NS(=O)(CC)=O)=C7 CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1 4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-N-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 32b CCS(=O)(NC1=CC=C(C(C2=CN(C(C3=C2C=C([R1])N3)=O)C)=C1)OC4=CC=C(C=C4F)F)=O O=CNCC1=CN(N=N1)CCOCCOCC=O O=C([R2])COCCOCCN1C=C(N=N1)CNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)NS(=O)(=O)CC)OC4=C(C=C(C=C4)F)F)C O=CCOCCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 245/5960/2220 2808.333333333333 0 linker/linker_798.sdf warhead/warhead_797.sdf e3_ligand/e3_ligand_17.sdf 798 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN(C(C1=C2C=C(N1)C(NCC3=CN(N=N3)CCOCCOCCOCC(NC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)=O)=O)C=C2C7=C(OC8=C(F)C=C(F)C=C8)C=CC(NS(=O)(CC)=O)=C7 CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1 4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-N-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 32c CCS(=O)(NC1=CC=C(C(C2=CN(C(C3=C2C=C([R1])N3)=O)C)=C1)OC4=CC=C(C=C4F)F)=O O=CNCC1=CN(N=N1)CCOCCOCCOCC=O O=C([R2])COCCOCCOCCN1C=C(N=N1)CNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)NS(=O)(=O)CC)OC4=C(C=C(C=C4)F)F)C O=CCOCCOCCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4138/2040/4390 3522.6666666666665 0 linker/linker_799.sdf warhead/warhead_797.sdf e3_ligand/e3_ligand_17.sdf 799 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CN(C(C1=C2C=C(N1)C(NCC3=CN(N=N3)CCOCCOCCOCCOCC(NC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)=O)=O)C=C2C7=C(OC8=C(F)C=C(F)C=C8)C=CC(NS(=O)(CC)=O)=C7 CCS(=O)(=O)NC1=CC=C(OC2=CC=C(F)C=C2F)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CN(CCOCCOCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N2)[NH]3)=C1 4-[2-(2,4-difluorophenoxy)-5-(ethylsulfonylamino)phenyl]-N-[[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 32d CCS(=O)(NC1=CC=C(C(C2=CN(C(C3=C2C=C([R1])N3)=O)C)=C1)OC4=CC=C(C=C4F)F)=O O=CNCC1=CN(N=N1)CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCN1C=C(N=N1)CNC([R1])=O O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)NS(=O)(=O)CC)OC4=C(C=C(C=C4)F)F)C O=CCOCCOCCOCCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000/>10000/>10000 10000.0 0 linker/linker_800.sdf warhead/warhead_797.sdf e3_ligand/e3_ligand_17.sdf 800 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCN(C)CCN(C)C(C(NC(C=C)=O)=C4)=CC(OC)=C4NC5=NC=CC(C(C6=CC=CC=C67)=CN7C)=N5)=O C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethyl-methylamino]ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide 16a C=CC(NC1=CC(NC2=NC=CC(C3=CN(C4=CC=CC=C34)C)=N2)=C(C=C1N(CCN([R1])C)C)OC)=O O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1425/1874/1388 1562.3333333333333 0 linker/linker_250.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_17.sdf 801 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCN(C)CCN(C)C(C(NC(C=C)=O)=C4)=CC(OC)=C4NC5=NC=CC(C(C6=CC=CC=C67)=CN7C)=N5)=O C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-methylamino]ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide 16b C=CC(NC1=CC(NC2=NC=CC(C3=CN(C4=CC=CC=C34)C)=N2)=C(C=C1N(CCN([R1])C)C)OC)=O O=CCOCCOCCOCC O=C([R2])COCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1117/1611/1698 1475.3333333333333 0 linker/linker_554.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_17.sdf 802 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3NC(COCCOCCOCCOCCN(C)CCN(C)C(C(NC(C=C)=O)=C4)=CC(OC)=C4NC5=NC=CC(C(C6=CC=CC=C67)=CN7C)=N5)=O C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide 16c C=CC(NC1=CC(NC2=NC=CC(C3=CN(C4=CC=CC=C34)C)=N2)=C(C=C1N(CCN([R1])C)C)OC)=O O=CCOCCOCCOCCOCC O=C([R2])COCCOCCOCCOCC[R1] O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 161 413/1344/657 161.0 804.6666666666666 1 linker/linker_555.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_17.sdf 803 Q06187 Bruton's tyrosine kinase BTK BPK ATK CC1=C(C2=CN(C)C(C(NC3=CC=C(C(N4CCN(CCCCCCNC(CNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)CC4)=O)C=C3)=N2)=O)C=CC=C1NC(C8=CC=C(C(C)(C)C)C=C8)=O CC1=C(NC(=O)C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C1=CN(C)C(=O)C(NC2=CC=C(C(=O)N3CCN(CCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=N1 4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide DD-03-171 DD-03-171 CC1=C(C=CC=C1C2=CN(C(C(NC3=CC=C(C=C3)C(N4CCN([R1])CC4)=O)=N2)=O)C)NC(C5=CC=C(C=C5)C(C)(C)C)=O CC(NCCCCCC)=O O=C(C[R2])NCCCCCC[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=CN(C3=O)C)C4=C(C(=CC=C4)NC(=O)C5=CC=C(C=C5)C(C)(C)C)C CCCCCCNC(C)=O [R1]CCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_804.sdf warhead/warhead_804.sdf e3_ligand/e3_ligand_7.sdf 804 P30291 Wee1-like protein kinase Wee1 WEE1hu CC(C1=NC(N2C3=NC(NC4=CC=C(N5CCN(CCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)CC5)C=C4)=NC=C3C(N2CC=C)=O)=CC=C1)(O)C C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 2-(2,6-dioxopiperidin-3-yl)-4-[3-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]propylamino]isoindole-1,3-dione ZNL-02-096 ZNL-02-096 C=CCN1C(C2=CN=C(N=C2N1C3=CC=CC(C(C)(O)C)=N3)NC4=CC=C(C=C4)N5CCN([R1])CC5)=O CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 390 390.0 1 linker/linker_10.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 805 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 CC1=C(C=CC=C1COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN4CCCCC4C(N(CC5)CCN5C(CCCC(NC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)=O)=O)C=C2Cl)C9=CC=CC=C9 CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=CC=C1 5-[4-[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carbonyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-oxopentanamide P9 CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(OCC4=CC=CC(C#N)=C4)=C(C=C3Cl)CN5CCCCC5C([R1])=O O=CCCCC(N1CCNCC1)=O O=C([R2])CCCC(N1CCN([R1])CC1)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC=CC=C5)C)Cl O=CCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/>10000 10000.0 0 linker/linker_806.sdf warhead/warhead_806.sdf e3_ligand/e3_ligand_7.sdf 806 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 CC1=C(C=CC=C1COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN4CCCCC4C(N(CC5)CCN5C(CCC(NC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)=O)=O)C=C2Cl)C9=CC=CC=C9 CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=CC=C1 4-[4-[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]piperidine-2-carbonyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-4-oxobutanamide P10 CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(OCC4=CC=CC(C#N)=C4)=C(C=C3Cl)CN5CCCCC5C([R1])=O O=CCCC(N1CCNCC1)=O O=C([R2])CCC(N1CCN([R1])CC1)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC=CC=C5)C)Cl O=CCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/9700 9900.0 0 linker/linker_807.sdf warhead/warhead_806.sdf e3_ligand/e3_ligand_7.sdf 807 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 CC1=C(C=CC=C1COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN4CCCCC4C(NCCCCNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)=O)C=C2Cl)C8=CC=CC=C8 CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=CC=C1 1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methyl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]piperidine-2-carboxamide P13 CC1=C(C=CC=C1C2=CC=CC=C2)COC3=CC(OCC4=CC=CC(C#N)=C4)=C(C=C3Cl)CN5CCCCC5C([R1])=O NCCCC [R1]NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC=CC=C5)C)Cl CCCCN [R1]NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8200/>10000/10500 9566.666666666666 0 linker/linker_808.sdf warhead/warhead_806.sdf e3_ligand/e3_ligand_7.sdf 808 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(NC(CCCC(N(CC4)CCN4C(C5CCCCN5CC(C=C6Cl)=C(OCC7=CC=CC(C#N)=C7)C=C6OCC8=CC=CC(C9=CC=C%10OCCOC%10=C9)=C8C)=O)=O)=O)=CC=C3)=O)=O CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1 5-[4-[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carbonyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-oxopentanamide P22 CC1=C(C=CC=C1C2=CC=C3OCCOC3=C2)COC4=CC(OCC5=CC=CC(C#N)=C5)=C(C=C4Cl)CN6CCCCC6C([R1])=O O=C(CCCC=O)N1CCNCC1 O=C([R2])CCCC(N1CCN([R1])CC1)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC6=C(C=C5)OCCO6)C)Cl O=CCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/>10000 10000.0 0 linker/linker_806.sdf warhead/warhead_809.sdf e3_ligand/e3_ligand_7.sdf 809 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(NC(CCC(N(CC4)CCN4C(C5CCCCN5CC(C=C6Cl)=C(OCC7=CC=CC(C#N)=C7)C=C6OCC8=CC=CC(C9=CC=C%10OCCOC%10=C9)=C8C)=O)=O)=O)=CC=C3)=O)=O CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)N3CCN(C(=O)CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1 4-[4-[1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]piperidine-2-carbonyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-4-oxobutanamide P23 CC1=C(C=CC=C1C2=CC=C3OCCOC3=C2)COC4=CC(OCC5=CC=CC(C#N)=C5)=C(C=C4Cl)CN6CCCCC6C([R1])=O O=C(CCC=O)N1CCNCC1 O=C([R2])CCC(N1CCN([R1])CC1)=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC6=C(C=C5)OCCO6)C)Cl O=CCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9200/>10000/>10000 9733.333333333334 0 linker/linker_807.sdf warhead/warhead_809.sdf e3_ligand/e3_ligand_7.sdf 810 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(NCCCCNC(C4CCCCN4CC(C=C5Cl)=C(OCC6=CC=CC(C#N)=C6)C=C5OCC7=CC=CC(C8=CC=C9OCCOC9=C8)=C7C)=O)=CC=C3)=O)=O CC1=C(COC2=CC(OCC3=CC=CC(C#N)=C3)=C(CN3CCCCC3C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2Cl)C=CC=C1C1=CC=C2OCCOC2=C1 1-[[5-chloro-2-[(3-cyanophenyl)methoxy]-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methoxy]phenyl]methyl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]piperidine-2-carboxamide P26 CC1=C(C=CC=C1C2=CC=C3OCCOC3=C2)COC4=CC(OCC5=CC=CC(C#N)=C5)=C(C=C4Cl)CN6CCCCC6C([R1])=O NCCCC [R1]NCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1CCCCN1CC2=CC(=C(C=C2OCC3=CC(=CC=C3)C#N)OCC4=C(C(=CC=C4)C5=CC6=C(C=C5)OCCO6)C)Cl CCCCN [R1]NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/>10000 10000.0 0 linker/linker_808.sdf warhead/warhead_809.sdf e3_ligand/e3_ligand_7.sdf 811 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCN7N=NC(COCCOCCOC8=CC(C(C9=CSC([C@@H]%10CCCN%10C([C@H](C%11CCCCC%11)NC([C@@H](NC)C)=O)=O)=N9)=O)=CC=C8)=C7)=O)CC6)CSC%12=CC=CC=C%12)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCC3=CN(CCCC(=O)N4CCN(CC[C@H](CSC5=CC=CC=C5)NC5=CC=C(S(=O)(=O)NC(=O)C6=CC=C(N7CCN(CC8=C(C9=CC=C(Cl)C=C9)CCC(C)(C)C8)CC7)C=C6)C=C5S(=O)(=O)C(F)(F)F)CC4)N=N3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[4-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 3a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCN1N=NC(COCCOCC)=C1 O=C([R1])CCCN(N=N1)C=C1COCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 157 157.0 1 linker/linker_561.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 812 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCN7N=NC(COCCOCCOCCOC8=CC(C(C9=CSC([C@@H]%10CCCN%10C([C@H](C%11CCCCC%11)NC([C@@H](NC)C)=O)=O)=N9)=O)=CC=C8)=C7)=O)CC6)CSC%12=CC=CC=C%12)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCC3=CN(CCCC(=O)N4CCN(CC[C@H](CSC5=CC=CC=C5)NC5=CC=C(S(=O)(=O)NC(=O)C6=CC=C(N7CCN(CC8=C(C9=CC=C(Cl)C=C9)CCC(C)(C)C8)CC7)C=C6)C=C5S(=O)(=O)C(F)(F)F)CC4)N=N3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[4-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 3b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCN1N=NC(COCCOCCOCC)=C1 O=C([R1])CCCN(N=N1)C=C1COCCOCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 147 147.0 1 linker/linker_562.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 813 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@@H](NC)C)=O)=O)=N8)=O)=CC=C7)=O)CC6)CSC%11=CC=CC=C%11)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 4a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOCC O=C([R1])COCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC=O [R1]C(=O)COCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 143 143.0 1 linker/linker_250.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 814 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(COCCOCCOCCOCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@@H](NC)C)=O)=O)=N8)=O)=CC=C7)=O)CC6)CSC%11=CC=CC=C%11)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCOCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[2-[2-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 4b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCOCCOCCOCCOCC O=C([R1])COCCOCCOCCOCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCOCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 75 75.0 1 linker/linker_555.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 815 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCOC8=CC(C(C9=CSC([C@@H]%10CCCN%10C([C@@H](NC([C@H](C)NC)=O)C%11CCCCC%11)=O)=N9)=O)=CC=C8)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]butanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 5a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C CCCC=O O=C([R1])CCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCC=O [R1]C(=O)CCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 997 997.0 1 linker/linker_232.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 816 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@@H](NC)C)=O)=O)=N8)=O)=CC=C7)=O)CC6)CSC%11=CC=CC=C%11)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[5-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]pentanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 5b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCC O=C([R1])CCCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 1959 1959.0 0 linker/linker_443.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 817 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@@H](NC)C)=O)=O)=N8)=O)=CC=C7)=O)CC6)CSC%11=CC=CC=C%11)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[6-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]hexanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 5c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCCC O=C([R1])CCCCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC >10000 10000.0 0 linker/linker_255.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 818 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCN(C(CCCCCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@@H](NC)C)=O)=O)=N8)=O)=CC=C7)=O)CC6)CSC%11=CC=CC=C%11)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCCCCCC(=O)N3CCN(CC[C@H](CSC4=CC=CC=C4)NC4=CC=C(S(=O)(=O)NC(=O)C5=CC=C(N6CCN(CC7=C(C8=CC=C(Cl)C=C8)CCC(C)(C)C7)CC6)C=C5)C=C4S(=O)(=O)C(F)(F)F)CC3)=C2)=CS1)C1CCCCC1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[7-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]heptanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide 5d CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCCCC O=C([R1])CCCCCC[R2] CN[C@H](C(N[C@@H](C1CCCCC1)C(N2CCC[C@H]2C3=NC(C(C4=CC=CC(O[R2])=C4)=O)=CS3)=O)=O)C cIAP1 Q13490 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]OC1=CC=CC(=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_710.sdf 819 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCN8N=NC(COCCOCCOC9=CC%10=C(C=C9)[C@@H](CCC%10)NC([C@@H]%11C(C)(C[C@@]([H])(N%11C%12=O)OCC[C@@H]%12NC([C@@H](NC)C)=O)C)=O)=C8)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCC5=CN(CCCC(=O)N6CCN(CC[C@H](CSC7=CC=CC=C7)NC7=CC=C(S(=O)(=O)NC(=O)C8=CC=C(N9CCN(CC%10=C(C%11=CC=C(Cl)C=C%11)CCC(C)(C)C%10)CC9)C=C8)C=C7S(=O)(=O)C(F)(F)F)CC6)N=N5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[2-[2-[[1-[4-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-4-oxobutyl]triazol-4-yl]methoxy]ethoxy]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 6a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCOCCOCC1=CN(N=N1)CCCC=O O=C([R1])CCCN1C=C(N=N1)COCCOCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCN1C=C(COCCOCCO)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 153 153.0 1 linker/linker_820.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 820 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCN8N=NC(COCCOCCOCCOC9=CC%10=C(C=C9)[C@@H](CCC%10)NC([C@@H]%11C(C)(C[C@@]([H])(N%11C%12=O)OCC[C@@H]%12NC([C@@H](NC)C)=O)C)=O)=C8)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCCOCC5=CN(CCCC(=O)N6CCN(CC[C@H](CSC7=CC=CC=C7)NC7=CC=C(S(=O)(=O)NC(=O)C8=CC=C(N9CCN(CC%10=C(C%11=CC=C(Cl)C=C%11)CCC(C)(C)C%10)CC9)C=C8)C=C7S(=O)(=O)C(F)(F)F)CC6)N=N5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[2-[2-[2-[[1-[4-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-4-oxobutyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 6b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCOCCOCCOCC1=CN(N=N1)CCCC=O O=C([R1])CCCN1C=C(N=N1)COCCOCCOCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCN1C=C(COCCOCCOCCO)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 119 119.0 1 linker/linker_821.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 821 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOC8=CC9=C(C=C8)[C@@H](CCC9)NC([C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[2-[2-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 7a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCOCCOCC=O O=C([R1])COCCOCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCOCCOCCO [R1]C(=O)COCCOCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 100 100.0 1 linker/linker_822.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 822 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(COCCOCCOCCOCCOC8=CC9=C(C=C8)[C@@H](CCC9)NC([C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCOCCOCCOCCOCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[2-[2-[2-[2-[2-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 7b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCOCCOCCOCCOCC=O O=C([R1])COCCOCCOCCOCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCOCCOCCOCCOCCO [R1]C(=O)COCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 70 70.0 1 linker/linker_636.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 823 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCOC8=CC9=C(C=C8)[C@@H](CCC9)NC([C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[4-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-4-oxobutoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 8a CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCCC=O O=C([R1])CCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 62 62.0 1 linker/linker_824.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 824 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCN(CC7)C(CCCCOC8=CC9=C(C=C8)[C@@H](CCC9)NC([C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C)=O)=O)C=C5)=O)=O)C=C4)CC3)C1 CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[5-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-5-oxopentoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 8b CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCCCC=O O=C([R1])CCCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCCO [R1]C(=O)CCCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 76 76.0 1 linker/linker_825.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 825 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(N[C@@H]1CCCC2=C1C=CC(OCCCCCC(N(CC3)CCN3CC[C@H](CSC4=CC=CC=C4)NC(C=C5)=C(S(=O)(C(F)(F)F)=O)C=C5S(NC(C(C=C6)=CC=C6N(CC7)CCN7CC(C8)=C(C9=CC=C(Cl)C=C9)CCC8(C)C)=O)(=O)=O)=O)=C2)[C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[6-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-6-oxohexoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 8c CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCCCCC=O O=C([R1])CCCCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 127 127.0 1 linker/linker_826.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 826 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(N[C@@H]1CCCC2=C1C=CC(OCCCCCCC(N(CC3)CCN3CC[C@H](CSC4=CC=CC=C4)NC(C=C5)=C(S(=O)(C(F)(F)F)=O)C=C5S(NC(C(C=C6)=CC=C6N(CC7)CCN7CC(C8)=C(C9=CC=C(Cl)C=C9)CCC8(C)C)=O)(=O)=O)=O)=C2)[C@@H]%10C(C)(C[C@@]([H])(N%10C%11=O)OCC[C@@H]%11NC([C@@H](NC)C)=O)C CN[C@@H](C)C(=O)N[C@H]1CCO[C@H]2CC(C)(C)[C@@H](C(=O)N[C@@H]3CCCC4=CC(OCCCCCCC(=O)N5CCN(CC[C@H](CSC6=CC=CC=C6)NC6=CC=C(S(=O)(=O)NC(=O)C7=CC=C(N8CCN(CC9=C(C%10=CC=C(Cl)C=C%10)CCC(C)(C)C9)CC8)C=C7)C=C6S(=O)(=O)C(F)(F)F)CC5)=CC=C43)N2C1=O (4S,7S,9aS)-N-[(1R)-6-[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-8,8-dimethyl-4-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,4,7,9,9a-hexahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide 8d CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C OCCCCCCC=O O=C([R1])CCCCCCO[R2] CN[C@H](C(N[C@H]1CCO[C@H]2CC(C)([C@H](N2C1=O)C(N[C@@H]3CCCC4=CC([R2])=CC=C43)=O)C)=O)C XIAP P98170 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F O=CCCCCCCO [R1]C(=O)CCCCCCO[R2] [R2]C1=CC2=C(C=C1)[C@@H](CCC2)NC(=O)[C@@H]3C(C[C@H]4N3C(=O)[C@H](CCO4)NC(=O)[C@H](C)NC)(C)C 274 274.0 1 linker/linker_827.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_820.sdf 827 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC(NCCOCCOCCOCCOCCOCCN(C)CC(C=C4)=CC=C4C5=C(CCNC6=O)C7=C6C=C(F)C=C7N5)=C31)=O CN(CCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[2-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.0^4,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione iRucaparib-AP5 iRucaparib-AP5 CN([R1])CC1=CC=C(C=C1)C2=C3CCNC(C4=C3C(N2)=CC(F)=C4)=O CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2 CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35.7 35.7 1 linker/linker_828.sdf warhead/warhead_828.sdf e3_ligand/e3_ligand_7.sdf 828 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCN(C)CC(C=C4)=CC=C4C5=C(CCNC6=O)C7=C6C=C(F)C=C7N5)=C31)=O CN(CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(C2=C3CCNC(=O)C4=C3C(=CC(F)=C4)[NH]2)C=C1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[2-[2-[[4-(6-fluoro-9-oxo-3,10-diazatricyclo[6.4.1.0^4,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]methyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione iRucaparib-AP6 iRucaparib-AP6 CN([R1])CC1=CC=C(C=C1)C2=C3CCNC(C4=C3C(N2)=CC(F)=C4)=O CCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(C)CC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2 CCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 81.8 81.8 1 linker/linker_829.sdf warhead/warhead_828.sdf e3_ligand/e3_ligand_7.sdf 829 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 C[C@@]1(CCCN1CCOCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(N(C3=O)C4CCC(NC4=O)=O)=O)C5=NC6=C(C=CC=C6N5)C(N)=O C[C@]1(C2=NC3=C(C(N)=O)C=CC=C3[NH]2)CCCN1CCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[(2R)-1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide iVeliparib-AP6 iVeliparib-AP6 C[C@@]1(CCCN1[R1])C2=NC3=C(C=CC=C3N2)C(N)=O CCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCC[C@]1(C)C2=NC3=C(C=CC=C3N2)C(=O)N CCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 62.8 62.8 1 linker/linker_829.sdf warhead/warhead_830.sdf e3_ligand/e3_ligand_7.sdf 830 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NO)CCCCCCC(N/N=C/C1=CC=C(OCCCC#CC2=CC=CC3=C2CN(C4C(NC(CC4)=O)=O)C3=O)C=C1)=O O=C(CCCCCCC(=O)N/N=C/C1=CC=C(OCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1)NO N-[(E)-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynoxy]phenyl]methylideneamino]-N'-hydroxyoctanediamide 11b(YZ167) YZ167 [R1]OC1=CC=C(C=C1)/C=N/NC(=O)CCCCCCC(=O)NO CCCC#C [R1]CCCC#C[R2] O=C1CCC(C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)/C=N/NC(=O)CCCCCCC(=O)NO C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.94 1.94 1 linker/linker_19.sdf warhead/warhead_213.sdf e3_ligand/e3_ligand_18.sdf 831 P08069 Insulin-like growth factor 1 receptor IGF-1R CD221 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOC(C=C4)=CC=C4NC5=NC=CC(NC6=NNC(C)=C6)=N5 CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione 12a(CPR3) CPR3 CC1=CC(NC2=CC=NC(NC3=CC=C([R1])C=C3)=N2)=NN1 CCOCCO [R1]OCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C CCOCCO [R1]OCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.3/4.2 3.75 1 linker/linker_832.sdf warhead/warhead_832.sdf e3_ligand/e3_ligand_7.sdf 832 P12931 Proto-oncogene tyrosine-protein kinase Src Src SRC1 p60-Src O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOC(C=C4)=CC=C4NC5=NC=CC(NC6=NNC(C)=C6)=N5 CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethoxy]ethylamino]isoindole-1,3-dione 12a(CPR3) CPR3 CC1=CC(NC2=CC=NC(NC3=CC=C([R1])C=C3)=N2)=NN1 CCOCCO [R1]OCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C CCOCCO [R1]OCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.3/4.2 3.75 1 linker/linker_832.sdf warhead/warhead_832.sdf e3_ligand/e3_ligand_7.sdf 833 P08069 Insulin-like growth factor 1 receptor IGF-1R CD221 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCCOC(C=C4)=CC=C4NC5=NC=CC(NC6=NNC(C)=C6)=N5 CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione 12b(CPR4) CPR4 CC1=CC(NC2=CC=NC(NC3=CC=C([R1])C=C3)=N2)=NN1 CCOCCOCCO [R1]OCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.7/7.6 5.15 1 linker/linker_203.sdf warhead/warhead_832.sdf e3_ligand/e3_ligand_7.sdf 834 P12931 Proto-oncogene tyrosine-protein kinase Src Src SRC1 p60-Src O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCCOC(C=C4)=CC=C4NC5=NC=CC(NC6=NNC(C)=C6)=N5 CC1=CC(NC2=CC=NC(NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=N2)=N[NH]1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione 12b(CPR4) CPR4 CC1=CC(NC2=CC=NC(NC3=CC=C([R1])C=C3)=N2)=NN1 CCOCCOCCO [R1]OCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=NNC(=C3)C CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.7/7.6 5.15 1 linker/linker_203.sdf warhead/warhead_832.sdf e3_ligand/e3_ligand_7.sdf 835 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCC(N=N4)=CN4CCCC(N(CC5)CCN5CC[C@H](CSC6=CC=CC=C6)NC(C=C7)=C(S(=O)(C(F)(F)F)=O)C=C7S(NC(C(C=C8)=CC=C8N(CC9)CCN9CC(C%10)=C(C%11=CC=C(C=C%11)Cl)CCC%10(C)C)=O)(=O)=O)=O CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(N[C@H](CCN5CCN(C(=O)CCCN6C=C(COCCOCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)N=N6)CC5)CSC5=CC=CC=C5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]butanoyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide PZ15227 PZ15227 CC1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCN([R1])CC7)=O)=O)C O=CCCCN1C=C(COCCOCC)N=N1 O=C([R1])CCCN(N=N1)C=C1COCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CCOCCOCC1=CN(CCCC=O)N=N1 [R1]C(=O)CCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46 46.0 1 linker/linker_561.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_7.sdf 836 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN(C2=NC=N1)[C@@H]5CN([C@@H](C5)C(OCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)=O)C(C=C)=O C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethyl (2S,4S)-4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-prop-2-enoylpyrrolidine-2-carboxylate 7 C=CC(N1C[C@H](C[C@H]1C(O[R1])=O)N2N=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5)=O CCOCCOC [R1]CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC(=O)[C@@H]1C[C@@H](CN1C(=O)C=C)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 136 136.0 1 linker/linker_243.sdf warhead/warhead_837.sdf e3_ligand/e3_ligand_27.sdf 837 P51451 B lymphocyte kinase BLK NC1=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN(C2=NC=N1)[C@@H]5CN([C@@H](C5)C(OCCOCCOCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)=O)C(C=C)=O C=CC(=O)N1C[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C[C@H]1C(=O)OCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C 2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethyl (2S,4S)-4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-prop-2-enoylpyrrolidine-2-carboxylate 7 C=CC(N1C[C@H](C[C@H]1C(O[R1])=O)N2N=C(C3=C(N=CN=C32)N)C4=CC=C(C=C4)OC5=CC=CC=C5)=O CCOCCOC [R1]CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC(=O)[C@@H]1C[C@@H](CN1C(=O)C=C)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 220 220.0 1 linker/linker_243.sdf warhead/warhead_837.sdf e3_ligand/e3_ligand_27.sdf 838 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N1CCC[C@@H](N2C3=NC=NC(N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)C1)CCCCCCOCCOCCOCCOCCOC(C=CC=C6C7=O)=C6C(N7C(C(N8)=O)CCC8=O)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1 4-[2-[2-[2-[2-[7-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-7-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione NC-1 NC-1 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@@H]5CCCN(C5)C([R1])=O CCCCCCOCCOCCOCCOCCO [R1]CCCCCCOCCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCCCOCCOCCOCCOCCO [R1]CCCCCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.2 2.2 1 linker/linker_839.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_16.sdf 839 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(C(CNCCCCNC(COC(C=CC=C5C6=O)=C5C(N6C(C(N7)=O)CCC7=O)=O)=O)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[4-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]amino]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide YX-2-107 YX-2-107 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O O=CCNCCCCNC(CO)=O O=C([R1])CNCCCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C O=CCNCCCCNC(=O)CO [R1]C(=O)CNCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 95 95.0 1 linker/linker_845.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 840 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(C(CNCCCCNC(COC(C=CC=C5C6=O)=C5C(N6C(C(N7)=O)CCC7=O)=O)=O)=O)CC4)N=C2N(C8CCCC8)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[4-[[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]amino]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide YX-2-107 YX-2-107 CC(C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=CC=C(C=N4)N5CCN([R1])CC5)C)=O O=CCNCCCCNC(CO)=O O=C([R1])CNCCCCNC(CO[R2])=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C O=CCNCCCCNC(=O)CO [R1]C(=O)CNCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 95 95.0 1 linker/linker_845.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_16.sdf 841 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1CCC(C(N1)=O)N2C(C3=C(OCC(NCCN(CC4)CCN4CC5=CN=C(C=C5)NC6=NC=C(F)C(C7=CC8=C(N=C(N8C(C)C)C)C(F)=C7)=N6)=O)C=CC=C3C2=O)=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]ethyl]acetamide AC-2-011 AC-2-011 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCNC(CO)=O O=C(CO[R2])NCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCNC(=O)CO [R1]CCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 108 108.0 1 linker/linker_581.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_16.sdf 842 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C1CCC(C(N1)=O)N2C(C3=C(OCC(NCCN(CC4)CCN4CC5=CN=C(C=C5)NC6=NC=C(F)C(C7=CC8=C(N=C(N8C(C)C)C)C(F)=C7)=N6)=O)C=CC=C3C2=O)=O CC1=NC2=C(F)C=C(C3=NC(NC4=CC=C(CN5CCN(CCNC(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=NC=C3F)C=C2N1C(C)C 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[4-[[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]pyridin-3-yl]methyl]piperazin-1-yl]ethyl]acetamide AC-2-011 AC-2-011 CC1=NC2=C(C=C(C=C2N1C(C)C)C3=NC(NC4=CC=C(C=N4)CN5CCN([R1])CC5)=NC=C3F)F CCNC(CO)=O O=C(CO[R2])NCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F CCNC(=O)CO [R1]CCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 108 108.0 1 linker/linker_581.sdf warhead/warhead_355.sdf e3_ligand/e3_ligand_16.sdf 843 P10275 Androgen receptor AR DHTR NR3C4 CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC=C(OCCCCCOCCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C=C3)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=O)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[5-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]phenoxy]pentoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 CC1(C)C(N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C(N1C3=CC=C(O[R1])C=C3)=O)=O CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)N2C(=O)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_849.sdf warhead/warhead_849.sdf e3_ligand/e3_ligand_27.sdf 844 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCCOCCN(CC1)CCC1C(C=C2)=CC=C2N(C(C)(C(N3C4=CC=C(C#N)C(C(F)(F)F)=C4)=O)C)C3=S)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCN3CCC(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]piperidin-1-yl]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 80 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C COCCCOCCN1CCCCC1 [R1]C(CC1)CCN1CCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F COCCCOCCN1CCCCC1 [R1]C1CCN(CC1)CCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=501 501.0 1 linker/linker_850.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 845 P10275 Androgen receptor AR DHTR NR3C4 CC([C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=CN=CS3)=O)=O)NC(COCCCCCOC4=CC=C(C(N[C@@H](C(C)([C@@H]5OC6=CC=C(C(Cl)=C6)C#N)C)C5(C)C)=O)C=C4)=O)(C)C CC(C)(C)[C@H](NC(=O)COCCCCCOC1=CC=C(C(=O)N[C@H]2C(C)(C)[C@H](OC3=CC=C(C#N)C(Cl)=C3)C2(C)C)C=C1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=CN=CS2)C=C1 (2S,4R)-1-[(2S)-2-[[2-[5-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 150 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C OCCCCCOC [R1]OCCCCCOC[R2] CC([C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=CN=CS3)=O)=O)NC([R2])=O)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C COCCCCCO [R1]OCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=CN=CS3)O)C(C)(C)C <=50 50.0 1 linker/linker_851.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_846.sdf 846 P10275 Androgen receptor AR DHTR NR3C4 CC([C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC(COCCCCCNC4=CC=C(C(N[C@@H](C(C)([C@@H]5OC6=CC=C(C(Cl)=C6)C#N)C)C5(C)C)=O)C=C4)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCNC3=CC=C(C(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]anilino]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 174 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCCOC [R1]NCCCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C COCCCCCN [R1]NCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50 50.0 1 linker/linker_852.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_23.sdf 847 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCC(C=C1)=CC=C1C(C=C2)=CC=C2C(N[C@H](C3(C)C)C(C)(C)[C@@H]3OC4=CC=C(C#N)C(Cl)=C4)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC=C(C4=CC=C(C(=O)N[C@H]5C(C)(C)[C@H](OC6=CC=C(C#N)C(Cl)=C6)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[4-[4-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]phenyl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 182 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C COCCC1=CC=CC=C1 [R2]COCCC1=CC=C([R1])C=C1 CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C COCCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50 50.0 1 linker/linker_853.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_27.sdf 848 P10275 Androgen receptor AR DHTR NR3C4 CC([C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CO3)C)=O)=O)NC(COCC4=CC=C(OC(N[C@H](C5(C)C)C([C@@H]5OC6=CC(Cl)=C(C#N)C=C6)(C)C)=O)C=C4)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC3=CC=C(OC(=O)N[C@H]4C(C)(C)[C@H](OC5=CC=C(C#N)C(Cl)=C5)C4(C)C)C=C3)C(C)(C)C)C=C2)OC=N1 [4-[[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]methyl]phenyl] N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamate 184 CC([C@@H]1OC2=CC(Cl)=C(C#N)C=C2)(C)[C@@H](C1(C)C)NC(O[R1])=O COCC1=CC=CC=C1 [R1]C(C=C1)=CC=C1COC[R2] CC([C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CO3)C)=O)=O)NC([R2])=O)(C)C VHL P40337 [R1]OC(=O)N[C@H]1C([C@@H](C1(C)C)OC2=CC(=C(C=C2)C#N)Cl)(C)C COCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)COC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CO3)C)O)C(C)(C)C <=50 50.0 1 linker/linker_854.sdf warhead/warhead_854.sdf e3_ligand/e3_ligand_849.sdf 849 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=COC(C2=CC(NCC(F)(F)F)=NC=C2)=N1)NC3=CN(N=C3CN)C4=CC=C(C(NCCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)C=C4 NCC1=NN(C2=CC=C(C(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1 N-[3-(aminomethyl)-1-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-215 NCC1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC(F)(F)F)=C3)=N2)=O)C4=CC=C([R1])C=C4 CCOCCOCCNC=O O=C([R1])NCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)CN)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC(F)(F)F CCOCCOCCNC=O [R1]C(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_556.sdf warhead/warhead_855.sdf e3_ligand/e3_ligand_7.sdf 850 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCN4CCCCC4CNC(C(C=C5)=CC=C5N(N=C6C(N)=O)C=C6NC(C7=COC(C8=CC(NCC(F)(F)F)=NC=C8)=N7)=O)=O NC(=O)C1=NN(C2=CC=C(C(=O)NCC3CCCCN3CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1 N-[3-carbamoyl-1-[4-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperidin-2-yl]methylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-219 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC(F)(F)F)=C3)=N2)=O)C4=CC=C([R1])C=C4)=O O=CNCC1CCCCN1CCOCC O=C([R1])NCC1CCCCN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC(F)(F)F CCOCCN1CCCCC1CNC=O [R1]C(=O)NCC1CCCCN1CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_856.sdf warhead/warhead_856.sdf e3_ligand/e3_ligand_7.sdf 851 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCNCCOCCNC(C(C=C4)=CC=C4N(N=C5C(F)(F)F)C=C5NC(C6=COC(C7=CC(NCC8CC8)=NC=C7)=N6)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCNCCOCCNC(=O)C4=CC=C(N5C=C(NC(=O)C6=COC(C7=CC=NC(NCC8CC8)=C7)=N6)C(C(F)(F)F)=N5)C=C4)=C3C2=O)C(=O)N1 2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[1-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]ethoxy]ethylcarbamoyl]phenyl]-3-(trifluoromethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide I-222 O=C([R1])C1=CC=C(C=C1)N2C=C(C(C(F)(F)F)=N2)NC(C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)=O NCCOCCNCC [R1]NCCOCCNCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)(F)F)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC5CC5 CCNCCOCCN [R1]NCCOCCNCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_857.sdf warhead/warhead_857.sdf e3_ligand/e3_ligand_7.sdf 852 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC(CCCOCCOCCN(C)C(C(C=C4)=CC=C4N(N=C5C(N)=O)C=C5NC(C6=COC(C7=CC(NCC8CC8)=NC=C7)=N6)=O)=O)=C3 CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)C(=O)C1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1 N-[3-carbamoyl-1-[4-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethyl-methylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-228 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC4CC4)=C3)=N2)=O)C5=CC=C([R1])C=C5)=O CCCOCCOCCN(C)C=O CN(C([R1])=O)CCOCCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC5CC5 CCCOCCOCCN(C)C=O [R1]C(=O)N(C)CCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_858.sdf warhead/warhead_858.sdf e3_ligand/e3_ligand_616.sdf 853 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=COC(C2=CC(NCC3CC3)=NC=C2)=N1)NC4=CN(N=C4C(F)F)C5=CC=C(C=C5)C(NCCOCCOCCCC6=CC=CC7=C6OC(N7C8CCC(NC8=O)=O)=O)=O O=C1CCC(N2C(=O)OC3=C(CCCOCCOCCNC(=O)C4=CC=C(N5C=C(NC(=O)C6=COC(C7=CC=NC(NCC8CC8)=C7)=N6)C(C(F)F)=N5)C=C4)C=CC=C32)C(=O)N1 2-[2-(cyclopropylmethylamino)pyridin-4-yl]-N-[3-(difluoromethyl)-1-[4-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide I-265 O=C([R1])C1=CC=C(C=C1)N2C=C(C(C(F)F)=N2)NC(C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)=O NCCOCCOCCC [R1]NCCOCCOCCC[R2] O=C1CCC(C(N1)=O)N2C(OC3=C([R2])C=CC=C32)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)F)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC5CC5 CCCOCCOCCN [R1]NCCOCCOCCC[R2] [R2]C1=C2C(=CC=C1)N(C(=O)O2)C3CCC(=O)NC3=O 20-50/>50/>50 50.0 0 linker/linker_859.sdf warhead/warhead_859.sdf e3_ligand/e3_ligand_854.sdf 854 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=COC(C2=CC(NCC(F)(F)F)=NC=C2)=N1)NC3=CN(N=C3C(F)F)C4=CC=C(C=C4)C(NCCOCCOCCN5CCC(NC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)CC5)=O O=C1CCC(N2C(=O)C3=CC=CC(NC4CCN(CCOCCOCCNC(=O)C5=CC=C(N6C=C(NC(=O)C7=COC(C8=CC=NC(NCC(F)(F)F)=C8)=N7)C(C(F)F)=N6)C=C5)CC4)=C3C2=O)C(=O)N1 N-[3-(difluoromethyl)-1-[4-[2-[2-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]ethoxy]ethoxy]ethylcarbamoyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-283 O=C([R1])C1=CC=C(C=C1)N2C=C(C(C(F)F)=N2)NC(C3=COC(C4=CC=NC(NCC(F)(F)F)=C4)=N3)=O NCCOCCOCCN1CCCCC1 [R1]NCCOCCOCCN1CCC([R2])CC1 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2C=C(C(=N2)C(F)F)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC(F)(F)F NCCOCCOCCN1CCCCC1 [R1]NCCOCCOCCN1CCC(CC1)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_860.sdf warhead/warhead_860.sdf e3_ligand/e3_ligand_7.sdf 855 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=COC(C2=CC(NCC(F)(F)F)=NC=C2)=N1)NC3=CN(N=C3C(N)=O)C4=CC=C(CNCC5OCCN(CCOCCNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)C5)C=C4 NC(=O)C1=NN(C2=CC=C(CNCC3CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CCO3)C=C2)C=C1NC(=O)C1=COC(C2=CC=NC(NCC(F)(F)F)=C2)=N1 N-[3-carbamoyl-1-[4-[[[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]morpholin-2-yl]methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-305 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC(F)(F)F)=C3)=N2)=O)C4=CC=C([R1])C=C4)=O CNCC1OCCN(CCOCC)C1 [R1]CNCC(C1)OCCN1CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC(F)(F)F CCOCCN1CCOC(CNC)C1 [R1]CNCC1CN(CCO1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50/>50/>50 50.0 0 linker/linker_861.sdf warhead/warhead_856.sdf e3_ligand/e3_ligand_7.sdf 856 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=COC(C2=CC(NCC3CC3)=NC=C2)=N1)NC4=CN(N=C4C(N)=O)C5=CC=C(CN(C)CCOCCOCCCC6=CC=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=C6)C=C5 CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1 N-[3-carbamoyl-1-[4-[[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-308 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC4CC4)=C3)=N2)=O)C5=CC=C([R1])C=C5)=O CN(C)CCOCCOCCC CN(C[R1])CCOCCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC5CC5 CCCOCCOCCN(C)C [R1]CN(C)CCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20-50/>50/>50 50.0 0 linker/linker_862.sdf warhead/warhead_858.sdf e3_ligand/e3_ligand_616.sdf 857 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C1CCC(C(N1)=O)N2C(C3=CC=C(CCCOCCOCCN(C)CC(C=C4)=CC=C4N(N=C5C(N)=O)C=C5NC(C6=COC(C7=CC=NC=C7)=N6)=O)C=C3C2=O)=O CN(CCOCCOCCCC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC=C4)=N3)C(C(N)=O)=N2)C=C1 N-[3-carbamoyl-1-[4-[[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propoxy]ethoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-pyridin-4-yl-1,3-oxazole-4-carboxamide I-309 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC=C3)=N2)=O)C4=CC=C([R1])C=C4)=O CN(C)CCOCCOCCC CN(C[R1])CCOCCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC=NC=C4 CCCOCCOCCN(C)C [R1]CN(C)CCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20-50/>50/>50 50.0 0 linker/linker_862.sdf warhead/warhead_863.sdf e3_ligand/e3_ligand_616.sdf 858 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C1CCC(C(N1)=O)N2C(C3=CC=CC(CCCOCCN(C)CC(C=C4)=CC=C4N(N=C5C(N)=O)C=C5NC(C6=COC(C7=CC(NCC8CC8)=NC=C7)=N6)=O)=C3C2=O)=O CN(CCOCCCC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC1=CC=C(N2C=C(NC(=O)C3=COC(C4=CC=NC(NCC5CC5)=C4)=N3)C(C(N)=O)=N2)C=C1 N-[3-carbamoyl-1-[4-[[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethyl-methylamino]methyl]phenyl]pyrazol-4-yl]-2-[2-(cyclopropylmethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide I-313 NC(C1=NN(C=C1NC(C2=COC(C3=CC=NC(NCC4CC4)=C3)=N2)=O)C5=CC=C([R1])C=C5)=O CN(C)CCOCCC CN(C[R1])CCOCCC[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)N)NC(=O)C3=COC(=N3)C4=CC(=NC=C4)NCC5CC5 CCCOCCN(C)C [R1]CN(C)CCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20-50/>50/>50 50.0 0 linker/linker_864.sdf warhead/warhead_858.sdf e3_ligand/e3_ligand_16.sdf 859 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(NC1=NC2=CC=C(CN3CCN(CCOCCOCCOC(C=C4C5=O)=CC=C4C(N5C(C(N6)=O)CCC6=O)=O)CC3)C=C2N1[C@@H]7CC[C@@H](CC7)CO)C8=CC(C(F)(F)F)=CC=C8 O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCN4CCN(CC5=CC=C6N=C(NC(=O)C7=CC=CC(C(F)(F)F)=C7)N([C@H]7CC[C@@H](CO)CC7)C6=C5)CC4)C=C3C2=O)C(=O)N1 N-[6-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide Example 3 O=C(C1=CC=CC(C(F)(F)F)=C1)NC2=NC3=CC=C([R1])C=C3N2[C@H]4CC[C@H](CC4)CO CN1CCN(CCOCCOCCO)CC1 [R1]CN1CCN(CC1)CCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC2=C(N=C(N2[C@H]3CC[C@H](CC3)CO)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C=C1 CN1CCN(CCOCCOCCO)CC1 [R1]CN1CCN(CC1)CCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <30 30.0 1 linker/linker_865.sdf warhead/warhead_865.sdf e3_ligand/e3_ligand_616.sdf 860 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=CC(C(F)(F)F)=CC=C1)NC2=NC3=CC=C(C=C3N2[C@@H]4CC[C@H](CO)CC4)CN5CCN(CC5)CCOCCOCCOCCOC6=CC=C(C(N7C(CC8)C(NC8=O)=O)=O)C(C7=O)=C6 O=C1CCC(N2C(=O)C3=CC=C(OCCOCCOCCOCCN4CCN(CC5=CC=C6N=C(NC(=O)C7=CC=CC(C(F)(F)F)=C7)N([C@H]7CC[C@@H](CO)CC7)C6=C5)CC4)C=C3C2=O)C(=O)N1 N-[6-[[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide Example 4 O=C(C1=CC=CC(C(F)(F)F)=C1)NC2=NC3=CC=C([R1])C=C3N2[C@H]4CC[C@H](CC4)CO CN1CCN(CCOCCOCCOCCO)CC1 [R1]CN1CCN(CC1)CCOCCOCCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC2=C(N=C(N2[C@H]3CC[C@H](CC3)CO)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C=C1 CN1CCN(CCOCCOCCOCCO)CC1 [R1]CN1CCN(CC1)CCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <30 30.0 1 linker/linker_866.sdf warhead/warhead_865.sdf e3_ligand/e3_ligand_616.sdf 861 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(C1=CC(C(F)(F)F)=CC=C1)NC2=NC3=CC=C(C=C3N2[C@@H]4CC[C@H](CO)CC4)CN5CCN(CC5)CC6CCN(C(C=C7C(N8C(CC9)C(NC9=O)=O)=O)=CC=C7C8=O)CC6 O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCN(CC6=CC=C7N=C(NC(=O)C8=CC=CC(C(F)(F)F)=C8)N([C@H]8CC[C@@H](CO)CC8)C7=C6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[6-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide Example 9 O=C(C1=CC=CC(C(F)(F)F)=C1)NC2=NC3=CC=C([R1])C=C3N2[C@H]4CC[C@H](CC4)CO CN1CCN(CC1)CC2CCNCC2 [R1]CN1CCN(CC1)CC2CCN([R2])CC2 O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC2=C(N=C(N2[C@H]3CC[C@H](CC3)CO)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C=C1 CN1CCN(CC2CCNCC2)CC1 [R1]CN1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <30 30.0 1 linker/linker_867.sdf warhead/warhead_865.sdf e3_ligand/e3_ligand_616.sdf 862 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(NC1=CC2=CN(N=C2C=C1OC)C3CCN(CCOCCOC(C=C4C5=O)=CC=C4C(N5C(C(N6)=O)CCC6=O)=O)CC3)C7=NC(C(F)(F)F)=CC=C7 COC1=CC2=NN(C3CCN(CCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1 N-[2-[1-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide Example 58 COC1=CC2=NN(C=C2C=C1NC(C3=CC=CC(C(F)(F)F)=N3)=O)C4CCN([R1])CC4 CCOCCO [R1]CCOCCO[R2] O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C3C=C(C(=CC3=N2)OC)NC(=O)C4=NC(=CC=C4)C(F)(F)F CCOCCO [R1]CCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <30 30.0 1 linker/linker_832.sdf warhead/warhead_868.sdf e3_ligand/e3_ligand_616.sdf 863 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(NC1=CC2=CN(N=C2C=C1OC)C3CCN(CCOCCOC(C=C4C5=O)=CC=C4CN5C(C(N6)=O)CCC6=O)CC3)C7=NC(C(F)(F)F)=CC=C7 COC1=CC2=NN(C3CCN(CCOCCOC4=CC=C5CN(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1 N-[2-[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]ethoxy]ethyl]piperidin-4-yl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide Example 60 COC1=CC2=NN(C=C2C=C1NC(C3=CC=CC(C(F)(F)F)=N3)=O)C4CCN([R1])CC4 CCOCCO [R1]CCOCCO[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C3C=C(C(=CC3=N2)OC)NC(=O)C4=NC(=CC=C4)C(F)(F)F CCOCCO [R1]CCOCCO[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 <30 30.0 1 linker/linker_832.sdf warhead/warhead_868.sdf e3_ligand/e3_ligand_22.sdf 864 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(C)CN([C@@H]1C2=C(F)C=C(OCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(N[C@@H](C)C4=CC=C(C=C4)C5=C(N=CS5)C)=O)C[C@H](C3)O)=O)=O)C=C2F)[C@H](C)CC6=C1NC7=C6C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 3 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCOCCOCCOC [R1]OCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.3 0.3 1 linker/linker_870.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_23.sdf 865 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(C)CN([C@@H]1C2=C(F)C=C(OCCOCCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C=C4)C5=C(N=CS5)C)=O)C[C@H](C3)O)=O)=O)C=C2F)[C@H](C)CC6=C1NC7=C6C=CC=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Example 25 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCOCCCOC [R1]OCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.4 0.4 1 linker/linker_871.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_27.sdf 866 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(CN([C@@H](CC1=C2NC3=C1C=CC=C3)C)[C@@H]2C4=C(C=C(C=C4F)OCCOCCOCCOCC(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)C(C)(C)C)=O)F)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Example 38 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCOCCOCCOC [R1]OCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.3 0.3 1 linker/linker_870.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_27.sdf 867 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(C)CN([C@@H]1C2=C(F)C=C(OCCCOCCCOCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C=C4)C5=C(N=CS5)C)=O)C[C@H](C3)O)=O)=O)C=C2F)[C@H](C)CC6=C1NC7=C6C=CC=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]propoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Example 72 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCCOCCCOC [R1]OCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCCOCCCO [R1]OCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.4 0.4 1 linker/linker_873.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_27.sdf 868 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(CN([C@@H](CC1=C2NC3=C1C=CC=C3)C)[C@@H]2C4=C(C=C(OCCC(F)(F)CCOCCOCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)C=C4F)F)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCC(F)(F)CCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]-3,3-difluoropentoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Example 127 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCC(F)(F)CCOCCOC FC(F)(CCO[R1])CCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCOCCC(F)(F)CCO [R1]OCCC(CCOCCOC[R2])(F)F [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.8 0.8 1 linker/linker_874.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_27.sdf 869 P03372 Estrogen receptor ER ESR1 NR3A1 FC(C)(CN([C@@H](CC1=C2NC3=C1C=CC=C3)C)[C@@H]2C4=C(C=C(OCCCCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)C[C@H](C5)O)=O)=O)C=C4F)F)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCCCCOC3=CC(F)=C([C@@H]4C5=C(C[C@@H](C)N4CC(C)(C)F)C4=CC=CC=C4[NH]5)C(F)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]pentoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 140 C[C@@H]1CC2=C([C@H](N1CC(C)(F)C)C3=C(C=C([R1])C=C3F)F)NC4=CC=CC=C24 OCCCCCOCCOC [R1]OCCCCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F COCCOCCCCCO [R1]OCCCCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.6 0.6 1 linker/linker_875.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_23.sdf 870 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(C(CCOCCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 7 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 O=CCCOCCOCCOCC O=C([R1])CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 126 126.0 1 linker/linker_730.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 871 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CCOCCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 11 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 161 161.0 1 linker/linker_15.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 872 P01116 GTPase Kras KRAS KRAS2 RASK2 FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(NCCC(N(C)CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)C[C@H](C5)O)=O)=O)=O)N=C2N8CCN(CC8)C(C=C)=O C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 1 C=CC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(C)CCOCCOCCOCCOC)=O CN(C(CCN[R1])=O)CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)C=C)Cl)C4=CC(=CC5=CC=CC=C54)O)F COCCOCCOCCOCCN(C)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <25/>=50/>=50 41.66666666666666 0 linker/linker_878.sdf warhead/warhead_693.sdf e3_ligand/e3_ligand_23.sdf 873 P01116 GTPase Kras KRAS KRAS2 RASK2 FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(NCCC(N(C)CCOCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)C[C@H](C5)O)=O)=O)=O)N=C2N8CCN(CC8)C(C=C)=O C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 2 C=CC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(C)CCOCCOCCOCCOCCOC)=O CN(C(CCN[R1])=O)CCOCCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)C=C)Cl)C4=CC(=CC5=CC=CC=C54)O)F COCCOCCOCCOCCOCCN(C)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <25/>=50/>=50 41.66666666666666 0 linker/linker_879.sdf warhead/warhead_693.sdf e3_ligand/e3_ligand_23.sdf 874 P01116 GTPase Kras KRAS KRAS2 RASK2 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCCOCCN(C)C(CCNC(N=C4N5CCN(CC5)C(C=C)=O)=NC(C4=CC(Cl)=C6C7=CC(O)=CC8=C7C=CC=C8)=C6F)=O C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-N-methylpropanamide Example 3 C=CC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(C)CCOCCOCCOCC)=O CN(C(CCN[R1])=O)CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)C=C)Cl)C4=CC(=CC5=CC=CC=C54)O)F CCOCCOCCOCCN(C)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <25/25-50/25-50 25.0 0 linker/linker_880.sdf warhead/warhead_693.sdf e3_ligand/e3_ligand_7.sdf 875 P01116 GTPase Kras KRAS KRAS2 RASK2 FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(NCCC(N(C)CCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)C[C@H](C5)O)=O)=O)=O)N=C2N8CCN(CC8)C(C=C)=O C=CC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-2-yl]amino]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 4 C=CC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(C)CCOCCOCCOCC)=O CN(C(CCN[R1])=O)CCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)C=C)Cl)C4=CC(=CC5=CC=CC=C54)O)F CCOCCOCCOCCN(C)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <25/25-50/25-50 25.0 0 linker/linker_880.sdf warhead/warhead_693.sdf e3_ligand/e3_ligand_23.sdf 876 P01116 GTPase Kras KRAS KRAS2 RASK2 FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(NCCC(N(C)CCOCCOCCOCCOCCOC5=CC=C(C6=O)C(CN6C(C(N7)=O)CCC7=O)=C5)=O)N=C2N8CCN(CC8)C(CC)=O CCC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-methylpropanamide Example 5 CCC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(CCOCCOCCOCCOCCO)C)=O CN(C(CCN[R1])=O)CCOCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)CC)Cl)C4=CC(=CC5=CC=CC=C54)O)F CN(CCOCCOCCOCCOCCO)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O <25/25-50/25-50 25.0 0 linker/linker_882.sdf warhead/warhead_882.sdf e3_ligand/e3_ligand_21.sdf 877 P01116 GTPase Kras KRAS KRAS2 RASK2 FC1=C(C2=CC(Cl)=C1C3=CC(O)=CC4=C3C=CC=C4)N=C(NCCC(N(C)CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)C[C@H](C5)O)=O)=O)=O)N=C2N8CCN(CC8)C(CC)=O CCC(=O)N1CCN(C2=NC(NCCC(=O)N(C)CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C(F)C(C4=CC(O)=CC5=CC=CC=C45)=C(Cl)C=C23)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[3-[[6-chloro-8-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]amino]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Example 6 CCC(N1CCN(CC1)C2=NC([R1])=NC3=C(C(C4=CC(O)=CC5=CC=CC=C45)=C(C=C23)Cl)F)=O NCCC(N(C)CCOCCOCCOCCOC)=O CN(C(CCN[R1])=O)CCOCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=NC2=C(C(=C(C=C2C(=N1)N3CCN(CC3)C(=O)CC)Cl)C4=CC(=CC5=CC=CC=C54)O)F COCCOCCOCCOCCN(C)C(=O)CCN [R1]NCCC(=O)N(C)CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <25/<25/<25 25.0 0 linker/linker_878.sdf warhead/warhead_882.sdf e3_ligand/e3_ligand_23.sdf 878 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC(C(SC1=C(N)N=C(N2CCC(C)(N)CC2)C=N1)=CC=C3)=C3NC(CC(NCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)=O)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]propanediamide 7 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCNC(CC=O)=O O=C(CC([R1])=O)NCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCNC(=O)CC=O [R1]C(=O)CC(=O)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4/0 2.0 0 linker/linker_884.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 879 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]propanediamide 8 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCNC(CC=O)=O O=C(CC([R1])=O)NCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9/7 8.0 0 linker/linker_885.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 880 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]propanediamide 9 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13/6 9.5 0 linker/linker_886.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 881 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]propanediamide 10 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/3 1.5 0 linker/linker_887.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 882 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]propanediamide 11 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_888.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 883 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctyl]propanediamide 12 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20/14 17.0 0 linker/linker_889.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 884 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[9-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononyl]propanediamide 13 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 81/80 80.5 1 linker/linker_890.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 885 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]propanediamide 14 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_891.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 886 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl]propanediamide 15 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_892.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 887 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CC(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]propanediamide 16 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCCNC(CC=O)=O O=C(CC([R1])=O)NCCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCCNC(=O)CC=O [R1]C(=O)CC(=O)NCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 300 >95/93 94.0 300.0 1 linker/linker_893.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 888 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl]butanediamide 17 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCNC(CCC=O)=O O=C(CCC([R1])=O)NCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_894.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 889 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]butanediamide 18 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCCNC(CCC=O)=O O=C(CCC([R1])=O)NCCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_895.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 890 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCCC(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]pentanediamide 19 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCCNC(CCCC=O)=O O=C(CCCC([R1])=O)NCCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCCNC(=O)CCCC=O [R1]C(=O)CCCC(=O)NCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_896.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 891 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCOCCOCCOCC(N[C@H](C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]butanediamide 20 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N COCCOCCOCCNC(CCC=O)=O O=C(CCC([R1])=O)NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl COCCOCCOCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 80/>95 87.5 1 linker/linker_897.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 892 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCOCCOCCOCCC(N[C@H](C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]butanediamide 21 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N O=CCCC(NCCOCCOCCOCC)=O O=C(CCC([R1])=O)NCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCOCCOCCOCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32/87 59.5 0 linker/linker_898.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 893 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCOCCOCCOCCOCCC(N[C@H](C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanediamide 22 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N O=CCCC(NCCOCCOCCOCCOCC)=O O=C(CCC([R1])=O)NCCOCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCOCCOCCOCCOCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53/>95 74.0 1 linker/linker_899.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 894 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCCCCCCCCN4CCN(CC4)CC(NC5=CC=CC(SC6=NC=C(N=C6N)N7CCC(N)(CC7)C)=C5Cl)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(CC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[4-[2-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-2-oxoethyl]piperazin-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCN(CC1)CCN1CC=O O=C([R1])CN(CC1)CCN1CCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCN1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 85/>95 90.0 1 linker/linker_900.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 895 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCCCCCCCCCN4CCN(CC4)CC(NC5=CC=CC(SC6=NC=C(N=C6N)N7CCC(N)(CC7)C)=C5Cl)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3CCN(CC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[4-[2-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-2-oxoethyl]piperazin-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCCN(CC1)CCN1CC=O O=C([R1])CN(CC1)CCN1CCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCCN1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 80/>95 87.5 1 linker/linker_901.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 896 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCCCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)NC3=CC=CC(SC4=NC=C(N5CCC(C)(N)CC5)N=C4N)=C3Cl)C(C)(C)C)C=C2)SC=N1 N-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexadecanediamide 25 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 62/90 76.0 1 linker/linker_902.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 897 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N1CCN(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)=O)=O)CC1)CCC(NC5=CC=CC(SC6=NC=C(N7CCC(C)(N)CC7)N=C6N)=C5Cl)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(C(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[4-[4-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-4-oxobutanoyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SHP2-D26 SHP2-D26 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCN(CC1)CCN1C(CCC=O)=O O=C(CCC([R1])=O)N(CC1)CCN1CCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCN1CCN(C(=O)CCC=O)CC1 [R1]C(=O)CCC(=O)N1CCN(CC1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6/2.6 660/9.9 >95/>95 4.3 95.0 334.95 1 linker/linker_903.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 898 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N1CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)=O)=O)CC1)CCC(NC5=CC=CC(SC6=NC=C(N7CCC(C)(N)CC7)N=C6N)=C5Cl)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(C(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[4-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chloroanilino]-4-oxobutanoyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCCCN(CC1)CCN1C(CCC=O)=O O=C(CCC([R1])=O)N(CC1)CCN1CCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCCCN1CCN(C(=O)CCC=O)CC1 [R1]C(=O)CCC(=O)N1CCN(CC1)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_904.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 899 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NC4=CC=C(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O)C=C4)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C(NC(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)C=C3)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[4-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctoxy]phenyl]butanediamide 28 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCCCCOC(C=C1)=CC=C1NC(CCC=O)=O O=C(CCC([R1])=O)NC(C=C1)=CC=C1OCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCCCCOC1=CC=C(NC(=O)CCC=O)C=C1 [R1]C(=O)CCC(=O)NC1=CC=C(C=C1)OCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >95/>95 95.0 1 linker/linker_905.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 900 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N3CCC(C)(N)CC3)N=C2N)=C1Cl)CCC(NCCCCN4CCN(CCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O)CC4)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3CCN(CCCCNC(=O)CCC(=O)NC4=CC=CC(SC5=NC=C(N6CCC(C)(N)CC6)N=C5N)=C4Cl)CC3)C(C)(C)C)C=C2)SC=N1 N'-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[4-[4-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]piperazin-1-yl]butyl]butanediamide 29 CC1(CCN(CC1)C2=CN=C(C(N)=N2)SC3=CC=CC(N[R1])=C3Cl)N CCCCN1CCN(CC1)CCCCNC(CCC=O)=O O=C(CCC([R1])=O)NCCCCN(CC1)CCN1CCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC(CC3)(C)N)Cl CCCCN1CCN(CCCCNC(=O)CCC=O)CC1 [R1]C(=O)CCC(=O)NCCCCN1CCN(CC1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/82 41.0 0 linker/linker_906.sdf warhead/warhead_884.sdf e3_ligand/e3_ligand_23.sdf 901 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(=O)(C)=O)C1=C(CNC2=NC(NC3=CC=C(NC(C4=CN(CCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)N=N4)=O)C=C3)=NC=C2C(F)(F)F)C=CC=N1 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 26(FC-11) FC-11 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(CCOCCOCC)N=N1)=O O=C(N[R1])C(N=N1)=CN1CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.31/0.08/0.33 0.24 1 linker/linker_907.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 902 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(=O)(C)=O)C1=C(CNC2=NC(NC3=CC=C(NC(C4=CN(CCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)N=N4)=O)C=C3)=NC=C2C(F)(F)F)C=CC=N1 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 26(FC-11) FC-11 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(CCOCCOCC)N=N1)=O O=C(N[R1])C(N=N1)=CN1CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.37/0.04 0.205 1 linker/linker_907.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 903 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(S(=O)(C)=O)C1=C(CNC2=NC(NC3=CC=C(NC(C4=CN(CCOCCOCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)N=N4)=O)C=C3)=NC=C2C(F)(F)F)C=CC=N1 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide FC-11 FC-11 CN(S(C)(=O)=O)C1=NC=CC=C1CNC2=NC(NC3=CC=C([R1])C=C3)=NC=C2C(F)(F)F NC(C1=CN(CCOCCOCC)N=N1)=O O=C(N[R1])C(N=N1)=CN1CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.3/0.4 0.8500000000000001 1 linker/linker_907.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 904 P25440 Bromodomain-containing protein 2 BRD2 RING3 ClC1=CC=C(C=C1)C2=N[C@@H](CC(N[C@H]3COCCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@@H](C[C@H]4C(NCC(C(OCCOCCOC3)=C5)=CC=C5C(SC=N6)=C6C)=O)O)=O)=O)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOCCOC3=C2)SC=N1 N-[(5S,7R,11S,23S)-11-tert-butyl-7-hydroxy-34-(4-methyl-1,3-thiazol-5-yl)-4,10,13-trioxo-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^5,9]hexatriaconta-1(36),32,34-trien-23-yl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide 1 macroPROTAC-1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCOCCOC[C@@H](N)COCCOCCOC [R1]N[C@@H](COCCOCCOC[R2])COCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCOCCOC[C@@H](N)COCCOCCOC [R1]N[C@H](COCCOCC[R2])COCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)O[R2])O)C(C)(C)C >125 125.0 1 linker/linker_910.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_905.sdf 905 Q15059 Bromodomain-containing protein 3 BRD3 RING3L ClC1=CC=C(C=C1)C2=N[C@@H](CC(N[C@H]3COCCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@@H](C[C@H]4C(NCC(C(OCCOCCOC3)=C5)=CC=C5C(SC=N6)=C6C)=O)O)=O)=O)=O)C7=NN=C(C)N7C8=C2C(C)=C(C)S8 CC1=C(C2=CC=C3CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOC[C@H](NC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)COCCOCCOC3=C2)SC=N1 N-[(5S,7R,11S,23S)-11-tert-butyl-7-hydroxy-34-(4-methyl-1,3-thiazol-5-yl)-4,10,13-trioxo-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^5,9]hexatriaconta-1(36),32,34-trien-23-yl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide 1 macroPROTAC-1 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C CCOCCOC[C@@H](N)COCCOCCOC [R1]N[C@@H](COCCOCCOC[R2])COCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C(O[R2])=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CCOCCOC[C@@H](N)COCCOCCOC [R1]N[C@H](COCCOCC[R2])COCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)O[R2])O)C(C)(C)C >125 125.0 1 linker/linker_910.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_905.sdf 906 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CC(NCCOCCOCCOCCNC(COC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCCNC(=O)CN1CCN(C2=CC=C(C3=CC=C4CN(C(C(=O)NC5=NC=CS5)C5=CC=CC=C5)C(=O)C4=C3)C=C2)CC1 2-[5-[4-[4-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 1 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CC(NCCOCCOCCOCCNC(CO)=O)=O O=C(NCCOCCOCCOCCNC(CO[R2])=O)C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CC(=O)NCCOCCOCCOCCNC(=O)CO [R1]CC(=O)NCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_912.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_16.sdf 907 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CC(NCCCCNC(COC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)CN1CCN(C2=CC=C(C3=CC=C4CN(C(C(=O)NC5=NC=CS5)C5=CC=CC=C5)C(=O)C4=C3)C=C2)CC1 2-[5-[4-[4-[2-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 2 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CC(NCCCCNC(CO)=O)=O O=C(NCCCCNC(CO[R2])=O)C[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CC(=O)NCCCCNC(=O)CO [R1]CC(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_913.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_16.sdf 908 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CCCCCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 3 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_12.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 909 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CCCCCCCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 4 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCCCCCCC [R1]CCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_33.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 910 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(C(CCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 5 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCC=O O=C(CCOCC[R2])[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_530.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 911 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(C(CCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 6 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 O=CCCOCCOCC O=C([R1])CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_917.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 912 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(C(CCOCCOCCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 8 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 O=CCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_732.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 913 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(C(CCOCCOCCOCCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)=O)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 9 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 O=CCCOCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_702.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 914 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=NC=CS1)C(N2CC3=C(C=C(C=C3)C4=CC=C(N5CCN(CCOCCOCCNC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)CC5)C=C4)C2=O)C9=CC=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=C5)CC4)=C3C2=O)C(=O)N1 2-[5-[4-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 10 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(C=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1.sdf warhead/warhead_876.sdf e3_ligand/e3_ligand_7.sdf 915 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3NCCOCCOCCOCCN(CC4)CCN4C(C=C5)=NC=C5C(C=C6)=CC(C7=O)=C6CN7C(C8=CC=CC=C8O)C(NC9=NC=CS9)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8O)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1 2-[5-[6-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]pyridin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-(2-hydroxyphenyl)-N-(1,3-thiazol-2-yl)acetamide 15 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5O)NC6=NC=CS6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5O)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_15.sdf warhead/warhead_921.sdf e3_ligand/e3_ligand_7.sdf 916 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC(NCCOCCOCCN(CC4)CCN4C(C=C5)=NC=C5C6=CC(C7=O)=C(C=C6)CN7C(C8=CC=CC=C8)C(NC9=NC=CS9)=O)=C3 O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)C=C3C2=O)C(=O)N1 2-[5-[6-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]pyridin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 16 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1.sdf warhead/warhead_922.sdf e3_ligand/e3_ligand_250.sdf 917 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC(NCCOCCOCCOCCN(CC4)CCN4C(C=C5)=NC=C5C6=CC(C7=O)=C(C=C6)CN7C(C8=CC=CC=C8)C(NC9=NC=CS9)=O)=C3 O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)C=C3C2=O)C(=O)N1 2-[5-[6-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]pyridin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 17 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_15.sdf warhead/warhead_922.sdf e3_ligand/e3_ligand_250.sdf 918 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(C(C1=CC=CC=C1)N2CC3=C(C2=O)C=C(C4=CN=C(C=C4)N5CCN(CCOCCOCCOCCOC6=C(C7=O)C(C(N7C(C(N8)=O)CCC8=O)=O)=CC=C6)CC5)C=C3)NC9=NC=CS9 O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCN4CCN(C5=CC=C(C6=CC=C7CN(C(C(=O)NC8=NC=CS8)C8=CC=CC=C8)C(=O)C7=C6)C=N5)CC4)=C3C2=O)C(=O)N1 2-[5-[6-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]pyridin-3-yl]-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide 18 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCCOCCO [R2]OCCOCCOCCOCC[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2070 2070.0 0 linker/linker_204.sdf warhead/warhead_922.sdf e3_ligand/e3_ligand_16.sdf 919 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(C(C1=CC=CC=C1)N2CC3=C(C2=O)C=C(C4=CN=C(C=C4)N5CCN(CCOCCOCCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)C=C3)NC9=NC=CS9 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3CCN(C4=CC=C(C5=CC=C6CN(C(C(=O)NC7=NC=CS7)C7=CC=CC=C7)C(=O)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[2-[4-[5-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]pyridin-2-yl]piperazin-1-yl]ethoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 19 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCC [R1]CCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1.sdf warhead/warhead_922.sdf e3_ligand/e3_ligand_27.sdf 920 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(C(C1=CC=CC=C1)N2CC3=C(C2=O)C=C(C4=CN=C(C=C4)N5CCN(CCOCCOCCOCCC(N[C@H](C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)C(C)(C)C)=O)CC5)C=C3)NC9=NC=CS9 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCN3CCN(C4=CC=C(C5=CC=C6CN(C(C(=O)NC7=NC=CS7)C7=CC=CC=C7)C(=O)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[3-[2-[2-[2-[4-[5-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]pyridin-2-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 20 O=C(C(N1CC2=CC=C(C=C2C1=O)C3=CC=C(N=C3)N4CCN([R1])CC4)C5=CC=CC=C5)NC6=NC=CS6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC4=C(CN(C4=O)C(C5=CC=CC=C5)C(=O)NC6=NC=CS6)C=C3 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_15.sdf warhead/warhead_922.sdf e3_ligand/e3_ligand_27.sdf 921 P10275 Androgen receptor AR DHTR NR3C4 S=C1N(C2=CC=C(OCCOCCOCCOCCOC3=CC=CC4=C3CN(C4=O)[C@H]5CCC(NC5=O)=O)C=C2)C(C)(C(N1C6=CC=C(C#N)C(C(F)(F)F)=C6)=O)C CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2CN([C@H]2CCC(=O)NC2=O)C3=O)C=C1 4-[3-[4-[2-[2-[2-[2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 15 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C OCCOCCOCCOCCO [R1]OCCOCCOCCOCCO[R2] O=C1CC[C@@H](C(N1)=O)N2CC3=C([R2])C=CC=C3C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F OCCOCCOCCOCCO [R1]OCCOCCOCCOCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)[C@H]3CCC(=O)NC3=O 10 10.0 1 linker/linker_927.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_922.sdf 922 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCCNC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-053,TR-053 CPD-053 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 CCCC=O O=C([R1])CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.5 1.5 1 linker/linker_232.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_7.sdf 923 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCCNC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-053,TR-053 CPD-053 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 CCCC=O O=C([R1])CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.5 1.5 1 linker/linker_232.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_7.sdf 924 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCCNC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-053,TR-053 CPD-053 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 CCCC=O O=C([R1])CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.5 1.5 1 linker/linker_232.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_7.sdf 925 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCOCCOCCOCCOCCNC4=CC=C5C(N(C(C5=C4)=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-141,TR-140 CPD-141 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 O=CCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_732.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_250.sdf 926 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCOCCOCCOCCOCCNC4=CC=C5C(N(C(C5=C4)=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-141,TR-140 CPD-141 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 O=CCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_732.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_250.sdf 927 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN(C(CCOCCOCCOCCOCCNC4=CC=C5C(N(C(C5=C4)=O)C6CCC(NC6=O)=O)=O)=O)CC3)NC7=NNC8=C7C=C(C=C8)CC9=CC(F)=CC(F)=C9 O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=C(C(=O)NC6=N[NH]C7=CC=C(CC8=CC(F)=CC(F)=C8)C=C67)C(NC6CCOCC6)=C5)CC4)C=C3C2=O)C(=O)N1 N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-2-(oxan-4-ylamino)benzamide CPD-141,TR-140 CPD-141 O=C(C1=CC=C(C=C1NC2CCOCC2)N3CCN([R1])CC3)NC4=NNC5=CC=C(C=C45)CC6=CC(F)=CC(F)=C6 O=CCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_732.sdf warhead/warhead_928.sdf e3_ligand/e3_ligand_250.sdf 928 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-145,TR-130 CPD-145 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCC)=O O=C(C[R1])NCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_212.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 929 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-145,TR-130 CPD-145 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCC)=O O=C(C[R1])NCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_212.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 930 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-145,TR-130 CPD-145 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCC)=O O=C(C[R1])NCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_212.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 931 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]ethylamino]isoindole-1,3-dione CPD-181,TR-181 CPD-181 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC [R1]CC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CC [R1]CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.4 3.4 1 linker/linker_9.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 932 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]ethylamino]isoindole-1,3-dione CPD-181,TR-181 CPD-181 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC [R1]CC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CC [R1]CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.4 3.4 1 linker/linker_9.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 933 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCN4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]ethylamino]isoindole-1,3-dione CPD-181,TR-181 CPD-181 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC [R1]CC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CC [R1]CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.4 3.4 1 linker/linker_9.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 934 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C(C1=C2C=CC=C1NCCOCCNC(CN3CCN(C4=NC(C5=CN=C6C=CC(N7CCC[C@@H]7C8=CC(F)=CC=C8)=NN65)=CC=C4)CC3)=O)N(C9CCC(NC9=O)=O)C2=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-085,TR-106 CPD-085 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 935 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C(C1=C2C=CC=C1NCCOCCNC(CN3CCN(C4=NC(C5=CN=C6C=CC(N7CCC[C@@H]7C8=CC(F)=CC=C8)=NN65)=CC=C4)CC3)=O)N(C9CCC(NC9=O)=O)C2=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-085,TR-106 CPD-085 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 936 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C(C1=C2C=CC=C1NCCOCCNC(CN3CCN(C4=NC(C5=CN=C6C=CC(N7CCC[C@@H]7C8=CC(F)=CC=C8)=NN65)=CC=C4)CC3)=O)N(C9CCC(NC9=O)=O)C2=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-085,TR-106 CPD-085 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 937 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCOCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-143,TR-135 CPD-143 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 938 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCOCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-143,TR-135 CPD-143 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 939 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCOCCNC(CN4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C(CN1CCN(C2=CC=CC(C3=CN=C4C=CC(N5CCC[C@@H]5C5=CC=CC(F)=C5)=NN34)=N2)CC1)NCCOCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]-2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]acetamide CPD-143,TR-135 CPD-143 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CC(NCCOCC)=O O=C(C[R1])NCCOCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_335.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 940 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCCCC(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione CPD-159,TR-115 CPD-159 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CCCCC=O O=C([R1])CCCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_443.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 941 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCCCC(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione CPD-159,TR-115 CPD-159 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CCCCC=O O=C([R1])CCCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_443.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 942 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=CC(NCCCCC(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)=CC=C13)=O O=C1CCC(N2C(=O)C3=CC=C(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione CPD-159,TR-115 CPD-159 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 CCCCC=O O=C([R1])CCCC[R2] O=C(N(C(C1=C2)=O)C3CCC(NC3=O)=O)C1=CC=C2N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_443.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_250.sdf 943 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C(C1=CC=C(C=C1C2=O)N3CC(C(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)C3)N2C%10CCC(NC%10=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazine-1-carbonyl]azetidin-1-yl]isoindole-1,3-dione CPD-211,RE-211 CPD-211 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 O=CC1CNC1 O=C([R1])C1CN([R2])C1 O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F O=CC1CNC1 [R1]C(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_949.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_616.sdf 944 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C(C1=CC=C(C=C1C2=O)N3CC(C(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)C3)N2C%10CCC(NC%10=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazine-1-carbonyl]azetidin-1-yl]isoindole-1,3-dione CPD-211,RE-211 CPD-211 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 O=CC1CNC1 O=C([R1])C1CN([R2])C1 O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F O=CC1CNC1 [R1]C(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_949.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_616.sdf 945 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C(C1=CC=C(C=C1C2=O)N3CC(C(N4CCN(C5=NC(C6=CN=C7C=CC(N8CCC[C@@H]8C9=CC(F)=CC=C9)=NN76)=CC=C5)CC4)=O)C3)N2C%10CCC(NC%10=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(C(=O)N5CCN(C6=CC=CC(C7=CN=C8C=CC(N9CCC[C@@H]9C9=CC=CC(F)=C9)=NN78)=N6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazine-1-carbonyl]azetidin-1-yl]isoindole-1,3-dione CPD-211,RE-211 CPD-211 FC1=CC=CC([C@H]2CCCN2C3=NN4C(C=C3)=NC=C4C5=CC=CC(N6CCN([R1])CC6)=N5)=C1 O=CC1CNC1 O=C([R1])C1CN([R2])C1 O=C1CCC(C(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F O=CC1CNC1 [R1]C(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_949.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_616.sdf 946 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCCOCCCCCOC(C=C1)=CC=C1N(C(C)(C(N2C3=CC(C(F)(F)F)=C(N=C3)C#N)=O)C)C2=S)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CN=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[5-[4-[3-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]pentoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2 CC1(C(N(C(N1C2=CC=C(C=C2)O[R1])=S)C3=CN=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(N=C3)C#N)C(F)(F)F CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_849.sdf warhead/warhead_952.sdf e3_ligand/e3_ligand_27.sdf 947 P10275 Androgen receptor AR DHTR NR3C4 N#CC1=CC=C(N(C(N2C3=CC=C(OCCCCCOCCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)C[C@H](C4)O)=O)=O)C(F)=C3)=S)C(C2(C)C)=O)C=C1C(F)(F)F CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[5-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]pentoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10 CC1(C(N(C(N1C2=CC=C([R1])C(F)=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C COCCCOCCCCCO [R1]OCCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F COCCCOCCCCCO [R1]OCCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_230.sdf warhead/warhead_953.sdf e3_ligand/e3_ligand_23.sdf 948 P10275 Androgen receptor AR DHTR NR3C4 O[C@H]1CN(C([C@@H](NC(COCCCOCCCCCOC(C(F)=C2)=C(F)C=C2N(C(C(N3C4=CC(C(F)(F)F)=C(C#N)C=C4)=O)(C)C)C3=S)=O)C(C)(C)C)=O)[C@H](C(N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCCOC3=C(F)C=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[5-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2,6-difluorophenoxy]pentoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 11 CC1(C(N(C(N1C2=CC(F)=C(C(F)=C2)O[R1])=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O)C VHL P40337 [R1]OC1=C(C=C(C=C1F)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F CCCCCOCCCOC [R1]CCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_849.sdf warhead/warhead_954.sdf e3_ligand/e3_ligand_23.sdf 949 P10275 Androgen receptor AR DHTR NR3C4 N#CC1=CC=C(N(C(N2C3=CC=C(OCCCCOCCCOCC(N[C@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)C(F)=C3)=S)C(C2(C)C)=O)C=C1C(F)(F)F CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]-2-fluorophenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 27 CC1(C(N(C(N1C2=CC=C([R1])C(F)=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C OCCCCOCCCOC [R2]COCCCOCCCCO[R1] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F COCCCOCCCCO [R1]OCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_955.sdf warhead/warhead_953.sdf e3_ligand/e3_ligand_27.sdf 950 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCCOCCCCOC(C=C1)=CC=C1N(C(C)(C(N2C3=CC(C(F)(F)F)=C(N=C3)C#N)=O)C)C2=S)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CN=C(C#N)C(C(F)(F)F)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 30 CC1(C(N(C(N1C2=CC=C(C=C2)O[R1])=S)C3=CN=C(C(C(F)(F)F)=C3)C#N)=O)C CCCCOCCCOC [R1]CCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(N=C3)C#N)C(F)(F)F CCCCOCCCOC [R1]CCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_956.sdf warhead/warhead_952.sdf e3_ligand/e3_ligand_27.sdf 951 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCCOCCCCOC(C=C1)=CC=C1N(C(C(N2C3=CC(Cl)=C(C#N)C=C3)=O)(C)C)C2=S)=O)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(N4C(=S)N(C5=CC=C(C#N)C(Cl)=C5)C(=O)C4(C)C)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 31 CC1(C(N(C(N1C2=CC=C(C=C2)O[R1])=S)C3=CC=C(C(Cl)=C3)C#N)=O)C CCCCOCCCOC [R1]CCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]OC1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)Cl CCCCOCCCOC [R1]CCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_956.sdf warhead/warhead_957.sdf e3_ligand/e3_ligand_27.sdf 952 P10275 Androgen receptor AR DHTR NR3C4 CC(C)([C@H](NC(COCCCOCCCCOC(C=C1)=CC=C1C(C=C2)=CC=C2N(C(C)(C(N3C4=CC=C(C#N)C(C(F)(F)F)=C4)=O)C)C3=S)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCCCOC3=CC=C(C4=CC=C(N5C(=S)N(C6=CC=C(C#N)C(C(F)(F)F)=C6)C(=O)C5(C)C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[4-[4-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]phenyl]phenoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 75 CC1(C(N(C(N1C2=CC=C([R1])C=C2)=S)C3=CC=C(C(C(F)(F)F)=C3)C#N)=O)C COCCCOCCCCOC1=CC=CC=C1 [R1]C(C=C1)=CC=C1OCCCCOCCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F COCCCOCCCCOC1=CC=CC=C1 [R1]C1=CC=C(C=C1)OCCCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <=50/<=50 50.0 1 linker/linker_958.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_27.sdf 953 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=C(NCCCNC(CCCN(N=C4C)C(C5=NN(C6=CC=C(C=C6)C)C(C)=C45)=O)=O)C=CC=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]butanamide 17a CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30000 81000/68000 30000.0 74500.0 0 linker/linker_10.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 954 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=C(NCCCCNC(CCCN(C4=O)N=C(C)C(C4=N5)=C(C)N5C6=CC=C(C)C=C6)=O)C=CC=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]butanamide 17b CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25000 76000/51000 25000.0 63500.0 0 linker/linker_7.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 955 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=C(NCCCCCNC(CCCN(N=C4C)C(C5=NN(C6=CC=C(C=C6)C)C(C)=C45)=O)=O)C=CC=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]butanamide 17c CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22000 17000/32000 22000.0 24500.0 0 linker/linker_2.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 956 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=C(NCCCCCCNC(CCCN(C4=O)N=C(C)C(C4=N5)=C(C)N5C6=CC=C(C)C=C6)=O)C=CC=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]butanamide 17d CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15000 15000/19000 15000.0 17000.0 0 linker/linker_12.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 957 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C(C2=C(C=CC=C21)NCCCCCCCNC(CCCN(N=C(C(C3=NN4C5=CC=C(C=C5)C)=C4C)C)C3=O)=O)=O)C6CCC(NC6=O)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]butanamide 17e CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14000 12000/20000 14000.0 16000.0 0 linker/linker_13.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 958 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=C(NCCCCCCCCNC(CCCN(C4=O)N=C(C)C(C4=N5)=C(C)N5C6=CC=C(C)C=C6)=O)C=CC=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]butanamide 17f CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3600 8000/8000 3600.0 8000.0 0 linker/linker_33.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 959 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED CC1=CC=C(N2C(C)=C(C(C)=NN(CCCC(NCCOCCOCCNC3=C4C(N(C(C4=CC=C3)=O)C5C(NC(CC5)=O)=O)=O)=O)C6=O)C6=N2)C=C1 CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]butanamide 17g CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30000 58000/25000 30000.0 41500.0 0 linker/linker_1.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 960 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C(CCC1N(C2=O)C(C3=CC=CC(NCCCOCCOCCOCCCNC(CCCN(N=C4C)C(C5=NN(C6=CC=C(C=C6)C)C(C)=C45)=O)=O)=C23)=O)NC1=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCOCCOCCOCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]butanamide 17h CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCOCCOCCOCCC [R1]CCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCOCCOCCOCCC [R1]CCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10000 26000/23000 10000.0 24500.0 0 linker/linker_966.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_7.sdf 961 O43924 Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta PDEdelta PDE6D PDED O=C1N(C2CCC(NC2=O)=O)C(C3=CC=C(NCCCCCCCCNC(CCCN(C4=O)N=C(C)C(C4=N5)=C(C)N5C6=CC=C(C)C=C6)=O)C=C31)=O CC1=CC=C(N2N=C3C(=O)N(CCCC(=O)NCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)N=C(C)C3=C2C)C=C1 4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octyl]butanamide 17j CC1=CC=C(N2C(C)=C3C(C)=NN(CCCC(N[R1])=O)C(C3=N2)=O)C=C1 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)CCCN1C(=O)C2=NN(C(=C2C(=N1)C)C)C3=CC=C(C=C3)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5000 7000 5000.0 7000.0 0 linker/linker_33.sdf warhead/warhead_959.sdf e3_ligand/e3_ligand_250.sdf 962 Q15759 Mitogen-activated protein kinase 11 p38beta MAPK11 PRKM11 CC1=C(C=C(C=C1)C(NCCCCC2=CN(CCCC(NCCCCCCC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)=O)N=N2)=O)N6C(C)=CC(OCC7=C(C=C(C=C7)F)F)=C(C6=O)Br CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N-[4-[1-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexylamino]-4-oxobutyl]triazol-4-yl]butyl]-4-methylbenzamide NR-6a NR-6a CC1=C(N2C(C)=CC(OCC3=C(F)C=C(F)C=C3)=C(Br)C2=O)C=C(C(N[R1])=O)C=C1 CCCCC1=CN(N=N1)CCCC(NCCCCCC)=O O=C(NCCCCCC[R2])CCCN(N=N1)C=C1CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)C)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C CCCCCCNC(=O)CCCN1C=C(CCCC)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 35.19/19.1 27.145 1 linker/linker_968.sdf warhead/warhead_968.sdf e3_ligand/e3_ligand_18.sdf 963 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP CC1=C(C=C(C=C1)C(NCCCCC2=CN(CCCC(NCCCCCCC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)=O)N=N2)=O)N6C(C)=CC(OCC7=C(C=C(C=C7)F)F)=C(C6=O)Br CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N-[4-[1-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexylamino]-4-oxobutyl]triazol-4-yl]butyl]-4-methylbenzamide NR-6a NR-6a CC1=C(N2C(C)=CC(OCC3=C(F)C=C(F)C=C3)=C(Br)C2=O)C=C(C(N[R1])=O)C=C1 CCCCC1=CN(N=N1)CCCC(NCCCCCC)=O O=C(NCCCCCC[R2])CCCN(N=N1)C=C1CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)C)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C CCCCCCNC(=O)CCCN1C=C(CCCC)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2.9/18.4 10.65 1 linker/linker_968.sdf warhead/warhead_968.sdf e3_ligand/e3_ligand_18.sdf 964 Q15759 Mitogen-activated protein kinase 11 p38beta MAPK11 PRKM11 CC1=C(C=C(C=C1)C(NCCCCC2=CN(CCCC(NCCCCNC3=CC=CC4=C3C(N(C5CCC(NC5=O)=O)C4=O)=O)=O)N=N2)=O)N6C(C)=CC(OCC7=C(C=C(C=C7)F)F)=C(C6=O)Br CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N-[4-[1-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutyl]triazol-4-yl]butyl]-4-methylbenzamide NR-7h NR-7h CC1=C(N2C(C)=CC(OCC3=C(F)C=C(F)C=C3)=C(Br)C2=O)C=C(C(N[R1])=O)C=C1 CCCCC1=CN(CCCC(NCCCC)=O)N=N1 O=C(NCCCC[R2])CCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)C)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C CCCCNC(=O)CCCN1C=C(CCCC)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 48.47/48.9 48.685 1 linker/linker_970.sdf warhead/warhead_968.sdf e3_ligand/e3_ligand_7.sdf 965 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP CC1=C(C=C(C=C1)C(NCCCCC2=CN(CCCC(NCCCCNC3=CC=CC4=C3C(N(C5CCC(NC5=O)=O)C4=O)=O)=O)N=N2)=O)N6C(C)=CC(OCC7=C(C=C(C=C7)F)F)=C(C6=O)Br CC1=CC=C(C(=O)NCCCCC2=CN(CCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N-[4-[1-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutyl]triazol-4-yl]butyl]-4-methylbenzamide NR-7h NR-7h CC1=C(N2C(C)=CC(OCC3=C(F)C=C(F)C=C3)=C(Br)C2=O)C=C(C(N[R1])=O)C=C1 CCCCC1=CN(CCCC(NCCCC)=O)N=N1 O=C(NCCCC[R2])CCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)C)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C CCCCNC(=O)CCCN1C=C(CCCC)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24/27.2 25.6 1 linker/linker_970.sdf warhead/warhead_968.sdf e3_ligand/e3_ligand_7.sdf 966 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(NC1=NC2=CC=CC=C2S1)C3=CC=CC4=C3CN(CC4)C(S5)=NC(C(O)=O)=C5CCCOC(C=C6)=CC=C6C#CCOCCOCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N7C[C@H](O)C[C@H]7C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCC#CC3=CC=C(OCCCC4=C(C(=O)O)N=C(N5CCC6=CC=CC(C(=O)NC7=NC8=CC=CC=C8S7)=C6C5)S4)C=C3)C(C)(C)C)C=C2)SC=N1 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid PROTAC 6 [R1]C#CC1=CC=C(OCCCC2=C(C(O)=O)N=C(N3CCC4=C(C(C(NC5=NC6=CC=CC=C6S5)=O)=CC=C4)C3)S2)C=C1 COCCOCCOCCOCCOCCOCC [R1]COCCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C#CC1=CC=C(C=C1)OCCCC2=C(N=C(S2)N3CCC4=C(C3)C(=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5)C(=O)O CCOCCOCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.8 4.8 1 linker/linker_209.sdf warhead/warhead_972.sdf e3_ligand/e3_ligand_27.sdf 967 Q06187 Bruton's tyrosine kinase BTK BPK ATK FC1=C(C=CC(F)=C1)OC2=CC=C(C=C2)C3=NN(C(N)=C3C(N)=O)[C@@H]4CCCN(C4)C(OCCOCCOCCOCCOCCOCCOCCOCCOCCNC5=C(C6=CC=C5)C(N(C6=O)C7CCC(NC7=O)=O)=O)=O NC(=O)C1=C(N)N([C@@H]2CCCN(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)N=C1C1=CC=C(OC2=CC=C(F)C=C2F)C=C1 2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate 16 NC(C1=C(N(N=C1C2=CC=C(C=C2)OC3=CC=C(C=C3F)F)[C@@H]4CCCN(C4)C([R1])=O)N)=O CCOCCOCCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCOCCOCCOCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.6 9.6 1 linker/linker_973.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_7.sdf 968 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-61(8) MZP-61 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 158 158.0 1 linker/linker_974.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 969 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-61(8) MZP-61 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 126/200 163.0 1 linker/linker_974.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 970 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-54(9) MZP-54 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50 50.0 1 linker/linker_215.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 971 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-54(9) MZP-54 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/25 16.5 1 linker/linker_215.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 972 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCOCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-55(10) MZP-55 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20 20.0 1 linker/linker_305.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 973 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@@H](NC(COCCOCCOCCOCCNC(C(C=C4)=CC=C4C5=CC([C@H](NC6=CC=C(Cl)C=C6)C[C@H](C)N7C(C)=O)=C7C=C5)=O)=O)C(C)(C)C)=O)C1 CC(=O)N1C2=CC=C(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)C=C2[C@H](NC2=CC=C(Cl)C=C2)C[C@@H]1C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZP-55(10) MZP-55 ClC(C=C1)=CC=C1N[C@H]2C(C=C3C4=CC=C(C=C4)C([R1])=O)=C(C=C3)N(C(C)=O)[C@@H](C)C2 COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N([C@H](C[C@H]3NC4=CC=C(C=C4)Cl)C)C(=O)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/32 20.0 1 linker/linker_305.sdf warhead/warhead_974.sdf e3_ligand/e3_ligand_27.sdf 974 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC(COCCOCCNC(C[C@H](N=C4C5=CC=C(Cl)C=C5)C6=NN=C(N6C7=C4C(C)=C(S7)C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZ4(5) MZ4 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCN [R1]NCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 631 631.0 1 linker/linker_974.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 975 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC(COCCOCCNC(C[C@H](N=C4C5=CC=C(Cl)C=C5)C6=NN=C(N6C7=C4C(C)=C(S7)C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZ4(5) MZ4 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCN [R1]NCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 316 316.0 1 linker/linker_974.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 976 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC(COCCOCCNC(C[C@H](N=C4C5=CC=C(Cl)C=C5)C6=NN=C(N6C7=C4C(C)=C(S7)C)C)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide MZ4(5) MZ4 CC1=C(C2=C(N3C(C)=NN=C3[C@@H](N=C2C4=CC=C(C=C4)Cl)CC([R1])=O)S1)C COCCOCCN [R1]NCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100/100 100.0 1 linker/linker_974.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 977 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=C3C(CCC3=O)=CC=C2)N=C(NC4=CC=C(C(NCCOCCOCCOCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 6 (BI-3663) BI-3663 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOCCC=O O=C([R2])CCOCCOCCOCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOCCC=O [R1]CCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 158/50/13 >25119/>25119/19953 73.66666666666667 23397.0 1 linker/linker_730.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_7.sdf 978 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=C3C(CCC3=O)=CC=C2)N=C(NC4=CC=C(C(NCCOCCOCCOCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 6 (BI-3663) BI-3663 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOCCC=O O=C([R2])CCOCCOCCOCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOCCC=O [R1]CCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 251/32/32 25119/>25119/1585 105.0 17274.333333333332 1 linker/linker_730.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_7.sdf 979 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=C3C(CCC3=O)=CC=C2)N=C(NC4=CC=C(C(NCCOCCOCCOCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 6 (BI-3663) BI-3663 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOCCC=O O=C([R2])CCOCCOCCOCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOCCC=O [R1]CCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 27/13/25 >25119/25119 21.666666666666668 25119.0 1 linker/linker_730.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_7.sdf 980 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=C3C(CCC3=O)=CC=C2)N=C(NC4=CC=C(C(NCCOCCOCCOCCC(NC5=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=CC=C5)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 6 (BI-3663) BI-3663 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOCCC=O O=C([R2])CCOCCOCCOCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOCCC=O [R1]CCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 398/3/13 >25119/>25119/>25119 138.0 25119.0 1 linker/linker_730.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_7.sdf 981 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=CC=CC(CC3)=C2C3=O)N=C(NC4=CC=C(C(NCCOCCOCCOCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 (BI-0319) BI-0319 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 243/631/32 5012/6310 302.0 5661.0 1 linker/linker_168.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_27.sdf 982 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=CC=CC(CC3)=C2C3=O)N=C(NC4=CC=C(C(NCCOCCOCCOCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 (BI-0319) BI-0319 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25/100/79 10000/3981/6310 68.0 6763.666666666667 1 linker/linker_168.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_27.sdf 983 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=CC=CC(CC3)=C2C3=O)N=C(NC4=CC=C(C(NCCOCCOCCOCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 (BI-0319) BI-0319 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40/10/126 >25119/7943/6310 58.66666666666666 13124.0 1 linker/linker_168.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_27.sdf 984 Q05397 Focal adhesion kinase FAK PTK2 FAK1 FC(F)(C1=C(OC2=CC=CC(CC3)=C2C3=O)N=C(NC4=CC=C(C(NCCOCCOCCOCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)C=C4OC)N=C1)F COC1=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1NC1=NC=C(C(F)(F)F)C(OC2=CC=CC3=C2C(=O)CC3)=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[[3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 (BI-0319) BI-0319 O=C(C1=CC(OC)=C(NC2=NC=C(C(F)(F)F)C(OC3=CC=CC4=C3C(CC4)=O)=N2)C=C1)N[R1] CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]NC(=O)C1=CC(=C(C=C1)NC2=NC=C(C(=N2)OC3=CC=CC4=C3C(=O)CC4)C(F)(F)F)OC CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 79/631/126 19953/>25119/7943 278.6666666666667 17671.666666666668 1 linker/linker_168.sdf warhead/warhead_983.sdf e3_ligand/e3_ligand_27.sdf 985 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCOCCCN2[C@H](COC3=NC(N4C[C@H](CC#N)N(C(C(F)=C)=O)CC4)=C5C(CN(C6=C7C(Cl)=CC=CC7=CC=C6)CC5)=N3)CCC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide LC-2 LC-2 [R1]N1CCC[C@H]1COC2=NC3=C(C(N4CCN(C(C(F)=C)=O)[C@@H](CC#N)C4)=N2)CCN(C5=CC=CC6=C5C(Cl)=CC=C6)C3 CCOCCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F CCCOCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 250/520 385.0 1 linker/linker_92.sdf warhead/warhead_991.sdf e3_ligand/e3_ligand_27.sdf 986 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCOCCCN2[C@H](COC3=NC(N4C[C@H](CC#N)N(C(C(F)=C)=O)CC4)=C5C(CN(C6=C7C(Cl)=CC=CC7=CC=C6)CC5)=N3)CCC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide LC-2 LC-2 [R1]N1CCC[C@H]1COC2=NC3=C(C(N4CCN(C(C(F)=C)=O)[C@@H](CC#N)C4)=N2)CCN(C5=CC=CC6=C5C(Cl)=CC=C6)C3 CCOCCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F CCCOCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 590/320/760 556.6666666666666 1 linker/linker_92.sdf warhead/warhead_991.sdf e3_ligand/e3_ligand_27.sdf 987 P01116 GTPase Kras G12C KRAS G12C O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCNC(CCN4[C@@H](CCC4)COC5=NC(N6C[C@@H](N(CC6)C(C(F)=C)=O)CC#N)=C7C(CN(CC7)C8=C9C(Cl)=CC=CC9=CC=C8)=N5)=O)=O)=O C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCC(=O)NCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propanoylamino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide LC-3 LC-3 [R1]N1CCC[C@H]1COC2=NC3=C(C(N4CCN(C(C(F)=C)=O)[C@@H](CC#N)C4)=N2)CCN(C5=CC=CC6=C5C(Cl)=CC=C6)C3 CCC(NCC)=O O=C(NCC[R2])CC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F CCNC(=O)CC [R1]CCC(=O)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 640 640.0 1 linker/linker_590.sdf warhead/warhead_991.sdf e3_ligand/e3_ligand_27.sdf 988 P01116 GTPase Kras G12C KRAS G12C O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCOCCCCN4[C@@H](CCC4)COC5=NC(N6C[C@@H](N(CC6)C(C(F)=C)=O)CC#N)=C7C(CN(CC7)C8=C9C(Cl)=CC=CC9=CC=C8)=N5)=O)=O C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N (2S,4R)-1-[(2S)-2-[3-[4-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide LC-4 LC-4 [R1]N1CCC[C@H]1COC2=NC3=C(C(N4CCN(C(C(F)=C)=O)[C@@H](CC#N)C4)=N2)CCN(C5=CC=CC6=C5C(Cl)=CC=C6)C3 CCCCOCC [R1]CCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F CCCCOCC [R1]CCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 880 880.0 1 linker/linker_994.sdf warhead/warhead_991.sdf e3_ligand/e3_ligand_27.sdf 989 P01116 GTPase Kras G12C KRAS G12C O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCOCCOCCN4[C@@H](CCC4)COC5=NC(N6C[C@@H](N(CC6)C(C(F)=C)=O)CC#N)=C7C(CN(CC7)C8=C9C(Cl)=CC=CC9=CC=C8)=N5)=O)=O C=C(F)C(=O)N1CCN(C2=NC(OC[C@@H]3CCCN3CCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=NC3=C2CCN(C2=CC=CC4=CC=CC(Cl)=C24)C3)C[C@@H]1CC#N (2S,4R)-1-[(2S)-2-[3-[2-[2-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-(2-fluoroprop-2-enoyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide LC-5 LC-5 [R1]N1CCC[C@H]1COC2=NC3=C(C(N4CCN(C(C(F)=C)=O)[C@@H](CC#N)C4)=N2)CCN(C5=CC=CC6=C5C(Cl)=CC=C6)C3 CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)C(=C)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1.sdf warhead/warhead_991.sdf e3_ligand/e3_ligand_27.sdf 990 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutyl]acetamide 6 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(CO)=O O=C(CO[R2])NCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000 10000.0 0 linker/linker_996.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 991 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]acetamide 7 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(CO)=O O=C(CO[R2])NCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(=O)CO [R1]CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9400/>10000 9700.0 0 linker/linker_997.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 992 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCNC(CCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutyl]butanamide 8 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(CCCNC(CO)=O)=O O=C(CO[R2])NCCCC(NCCC[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(=O)CCCNC(=O)CO [R1]CCCNC(=O)CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5300/>10000 7650.0 0 linker/linker_998.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 993 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCNC(CCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutyl]hexanamide 9 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(CCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCC(NCCC[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCNC(=O)CCCCCNC(=O)CO [R1]CCCNC(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1900/8700 5300.0 0 linker/linker_999.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 994 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCNC(CCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]butanamide 10 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(CCCNC(CO)=O)=O O=C(CO[R2])NCCCC(NCCCCC[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(=O)CCCNC(=O)CO [R1]CCCCCNC(=O)CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1200/3100 2150.0 0 linker/linker_1000.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 995 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCNC(CCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]hexanamide 11 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(CCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCC(NCCCCC[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(=O)CCCCCNC(=O)CO [R1]CCCCCNC(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 950/1500 1225.0 0 linker/linker_1001.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_16.sdf 996 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCNC(CCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]butanamide 12 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(CCCNC(C)=O)=O O=C(C[R2])NCCCC(NCCCCC[R1])=O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(=O)CCCNC(C)=O [R1]CCCCCNC(=O)CCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2200/7100 4650.0 0 linker/linker_1002.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 997 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCNC(CCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]hexanamide 13 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(CCCCCNC(C)=O)=O O=C(C[R2])NCCCCCC(NCCCCC[R1])=O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCNC(=O)CCCCCNC(C)=O [R1]CCCCCNC(=O)CCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1700/2200 1950.0 0 linker/linker_1003.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 998 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexanamide 14 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCC(NCC)=O O=C(NCC[R2])CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCC(=O)NCC [R1]CCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000 10000.0 0 linker/linker_1004.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 999 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NCCNC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O)CCCCCCC(N(CC4)CCN4C(C5=CC(CC(C6=CC=CC=C67)=NNC7=O)=CC=C5F)=O)=O O=C(CCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-8-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-8-oxooctanamide 15 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=C(CCCCCC)NCC O=C(CCCCCC[R1])NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCC(=O)NCC [R1]CCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 830/4100 2465.0 0 linker/linker_1005.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1000 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-10-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-10-oxodecanamide 16 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCC(=O)NCC [R1]CCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 123/495 309.0 1 linker/linker_1006.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1001 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-11-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-11-oxoundecanamide 17 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCC(=O)NCC [R1]CCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29/264 146.5 1 linker/linker_1007.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1002 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide SK-575 (18) SK-575 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.384/0.512/0.263 8410/12300/4360 0.3863333333333333 8356.666666666666 1 linker/linker_1008.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1003 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide SK-575 (18) SK-575 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.578/1.08/0.228 5140/1440/4790 0.6286666666666666 3790.0 1 linker/linker_1008.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1004 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide SK-575 (18) SK-575 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.26/6.72/0.509 19/56/5130 2.8296666666666663 1735.0 1 linker/linker_1008.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1005 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide SK-575 SK-575 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.89 2.89 1 linker/linker_1008.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1006 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-13-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-13-oxotridecanamide 19 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21/87 54.0 1 linker/linker_1012.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1007 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCCCC(NCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-14-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-14-oxotetradecanamide 20 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25/118 71.5 1 linker/linker_1013.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1008 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 21 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCCC [R1]CCCCCCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 39/131 85.0 1 linker/linker_1014.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1009 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C2CCC(NC2=O)=O)C(C3=C1C(NCCCCCCNC(CCCCCCCCCCC(N(CC4)CCN4C(C5=CC(CC(C6=CC=CC=C67)=NNC7=O)=CC=C5F)=O)=O)=O)=CC=C3)=O O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 22 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R1])NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCCCCC [R1]CCCCCCCCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42/110 76.0 1 linker/linker_1015.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1010 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 23 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCCOCC)=O O=C(NCCOCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCOCC [R1]CCCCCCCCCCC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 47/120 83.5 1 linker/linker_1016.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1011 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C2CCC(NC2=O)=O)C(C3=C1C(NCCOCCOCCNC(CCCCCCCCCCC(N(CC4)CCN4C(C5=CC(CC(C6=CC=CC=C67)=NNC7=O)=CC=C5F)=O)=O)=O)=CC=C3)=O O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 24 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCOCCOCCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R1])NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCOCCOCC [R1]CCCCCCCCCCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 64/134 99.0 1 linker/linker_1017.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1012 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C2CCC(NC2=O)=O)C(C3=C1C(NCCCOCCOCCOCCCNC(CCCCCCCCCCC(N(CC4)CCN4C(C5=CC(CC(C6=CC=CC=C67)=NNC7=O)=CC=C5F)=O)=O)=O)=CC=C3)=O O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCOCCOCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 25 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCOCCOCCOCCCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R1])NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCCOCCOCCOCCC [R1]CCCCCCCCCCC(=O)NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 65/154 109.5 1 linker/linker_1018.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_7.sdf 1013 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC5=C(C(N(C6CCC(NC6=O)=O)C5=O)=O)C=C4)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 26 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCCN)=O O=C(NCCN[R2])CCCCCCCCCC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCN [R1]CCCCCCCCCCC(=O)NCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 35/159 97.0 1 linker/linker_1019.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_616.sdf 1014 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCNC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 O=C(CCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]-12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanamide 27 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCC [R1]CCCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 92/194 143.0 1 linker/linker_1008.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_17.sdf 1015 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 29 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54/87 70.5 1 linker/linker_35.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_27.sdf 1016 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT CC(N=CS1)=C1C2=CC=C(CNC([C@H]3N(C([C@@H](NC(CNC(CCCCCCCCCCC(N(CC4)CCN4C(C5=CC(CC(C6=CC=CC=C67)=NNC7=O)=CC=C5F)=O)=O)=O)=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanoyl]amino]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 30 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R1])NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NC [R1]CCCCCCCCCCC(=O)NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1200/1600 1400.0 0 linker/linker_1022.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_27.sdf 1017 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanoyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 31 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCCC)=O O=C(NCCC[R2])CCCCCCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCC [R1]CCCCCCCCCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 680/870 775.0 1 linker/linker_1023.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_27.sdf 1018 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1NN=C(CC2=CC=C(F)C(C(N3CCN(C(CCCCCCCCCCC(NCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=O)CC3)=O)=C2)C7=CC=CC=C71 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCCCCCCCCC(=O)N3CCN(C(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[[12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecanoyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 32 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(NCCCCC)=O O=C(NCCCCC[R2])CCCCCCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCCCCCCCCCC(=O)NCCCCC [R1]CCCCCCCCCCC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 120/170 145.0 1 linker/linker_1024.sdf warhead/warhead_996.sdf e3_ligand/e3_ligand_27.sdf 1019 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione 16 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15/45/93 51.0 0 linker/linker_521.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1020 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropyl]amino]isoindole-1,3-dione 17 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCC=O O=C([R1])CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCC=O [R1]C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9/15/65 29.666666666666668 0 linker/linker_522.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1021 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[4-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-4-oxobutyl]amino]isoindole-1,3-dione 18 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12/63/94 56.333333333333336 0 linker/linker_232.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1022 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-5-oxopentyl]amino]isoindole-1,3-dione 19 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 20/69/93 60.66666666666666 0 linker/linker_443.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1023 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-6-oxohexyl]amino]isoindole-1,3-dione 5 CG416 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.48/1.26 5.4 18/65/96 0.87 59.66666666666666 5.4 1 linker/linker_255.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1024 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-6-oxohexyl]amino]isoindole-1,3-dione 5 CG416 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.4 5.4 1 linker/linker_255.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1025 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-6-oxohexyl]amino]isoindole-1,3-dione 5 CG416 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.4 5.4 1 linker/linker_255.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1026 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[7-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-7-oxoheptyl]amino]isoindole-1,3-dione 20 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21/23/90 44.66666666666666 0 linker/linker_256.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1027 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[[8-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-8-oxooctyl]amino]isoindole-1,3-dione 21 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCCCC=O O=C([R1])CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 20/21/83 41.333333333333336 0 linker/linker_257.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1028 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione 6 CG428 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O O=C([R1])CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.36/2.23 2.9 46/82/96 1.295 74.66666666666667 2.9 1 linker/linker_530.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1029 Q16620 Tropomyosin receptor kinase B TRKB NTRK2 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione 6 CG428 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O O=C([R1])CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.9 2.9 1 linker/linker_530.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1030 Q16288 Tropomyosin receptor kinase C TRKC NTRK3 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione 6 CG428 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O O=C([R1])CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.9 2.9 1 linker/linker_530.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1031 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]isoindole-1,3-dione 22 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCC=O O=C([R1])CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30/56/95 60.333333333333336 0 linker/linker_917.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1032 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione 23 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22/28/86 45.333333333333336 0 linker/linker_730.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1033 P04629 Tropomyosin receptor kinase A TRKA NTRK1 MTC O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCOCCC(N(CC4)CCN4C5=NC(C6=CN=C7N6N=C(N8[C@@H](C9=CC=CC(F)=C9)CCC8)C=C7)=CC=C5)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCC(=O)N4CCN(C5=CC=CC(C6=CN=C7C=CC(N8CCC[C@@H]8C8=CC=CC(F)=C8)=NN67)=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridin-2-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione 24 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=CC(=N2)C3=CN=C4N3N=C(C=C4)N5CCC[C@@H]5C6=CC(=CC=C6)F CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22/40/91 51.0 0 linker/linker_732.sdf warhead/warhead_934.sdf e3_ligand/e3_ligand_7.sdf 1034 Q9Y616 Interleukin-1 receptor-associated kinase 3 IRAK3 IRAK-M CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1 CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[1-[4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanoyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione 22 CC(C)C1=C2N(C=C1)N=CN=C2N[C@H]3CC[C@@H](N4CCN(C([R1])=O)CC4)CC3 CCC(N1CCC(CC1)CN2CCNCC2)=O O=C(N1CCC(CC1)CN2CCN([R2])CC2)CC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)[C@H]2CC[C@H](CC2)NC3=NC=NN4C3=C(C=C4)C(C)C CCC(=O)N1CCC(CN2CCNCC2)CC1 [R1]CCC(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 52 52.0 1 linker/linker_1040.sdf warhead/warhead_1040.sdf e3_ligand/e3_ligand_616.sdf 1035 Q9Y616 Interleukin-1 receptor-associated kinase 3 IRAK3 IRAK-M CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1 CC(C)C1=C2C(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)CC4)CC3)=NC=NN2C=C1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[4-oxo-4-[4-[4-[(5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]cyclohexyl]piperazin-1-yl]butanoyl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione 23 CC(C)C1=C2N(C=C1)N=CN=C2N[C@H]3CC[C@@H](N4CCN(C([R1])=O)CC4)CC3 CCC(N1CCC(CC1)CCN2CCNCC2)=O O=C(N1CCC(CC1)CCN2CCN([R2])CC2)CC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)[C@H]2CC[C@H](CC2)NC3=NC=NN4C3=C(C=C4)C(C)C CCC(=O)N1CCC(CCN2CCNCC2)CC1 [R1]CCC(=O)N1CCC(CC1)CCN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_1041.sdf warhead/warhead_1040.sdf e3_ligand/e3_ligand_616.sdf 1036 P36507 Mitogen-activated protein kinase kinase 2 MEK2 MAP2K2 PRKMK2 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCCCN(C)CCCONC(C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F)=O)=O)=O)C[C@H](O)C1)N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxypropyl-methylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 MS928 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCN(CCC)C CN(CCC[R1])CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCN(C)CCC [R1]CCCN(C)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/6 7.0 1 linker/linker_1042.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_23.sdf 1037 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCCCN(C)CCCONC(C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F)=O)=O)=O)C[C@H](O)C1)N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN(C)CCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[3-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxypropyl-methylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 MS928 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCN(CCC)C CN(CCC[R1])CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCN(C)CCC [R1]CCCN(C)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18/16 17.0 1 linker/linker_1042.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_23.sdf 1038 P36507 Mitogen-activated protein kinase kinase 2 MEK2 MAP2K2 PRKMK2 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCCCCNCCCCONC(C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F)=O)=O)=O)C[C@H](O)C1)N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[4-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxybutylamino]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 MS934 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCCNCCCC [R1]CCCCNCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCCNCCCC [R1]CCCCNCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9/4 6.5 1 linker/linker_1044.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_23.sdf 1039 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCCCCNCCCCONC(C2=CC=C(F)C(F)=C2NC3=CC=C(I)C=C3F)=O)=O)=O)C[C@H](O)C1)N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNCCCCONC(=O)C3=CC=C(F)C(F)=C3NC3=CC=C(I)C=C3F)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[4-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxybutylamino]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 MS934 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCCNCCCC [R1]CCCCNCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCCCCCCCCCNCCCC [R1]CCCCNCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18/10 14.0 1 linker/linker_1044.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_23.sdf 1040 P36507 Mitogen-activated protein kinase kinase 2 MEK2 MAP2K2 PRKMK2 O=C(NOCCCNCCOCCOCCOCCOCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)C4=CC=C(F)C(F)=C4NC5=CC=C(I)C=C5F O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1 N-[3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide 50 MS910 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCNCCOCCOCCOCCOCCOCCN [R1]CCCNCCOCCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCNCCOCCOCCOCCOCCOCCN [R1]CCCNCCOCCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 55/38 46.5 1 linker/linker_1046.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_616.sdf 1041 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NOCCCNCCOCCOCCOCCOCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)C4=CC=C(F)C(F)=C4NC5=CC=C(I)C=C5F O=C1CCC(N2C(=O)C3=CC=C(NCCOCCOCCOCCOCCOCCNCCCONC(=O)C4=CC=C(F)C(F)=C4NC4=CC=C(I)C=C4F)C=C3C2=O)C(=O)N1 N-[3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide 50 MS910 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCNCCOCCOCCOCCOCCOCCN [R1]CCCNCCOCCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]ONC(=O)C1=C(C(=C(C=C1)F)F)NC2=C(C=C(C=C2)I)F CCCNCCOCCOCCOCCOCCOCCN [R1]CCCNCCOCCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 118/94 106.0 1 linker/linker_1046.sdf warhead/warhead_774.sdf e3_ligand/e3_ligand_616.sdf 1042 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC(OCCCCCCCN4CCN(CC(C=C5)=CC=C5C6=CC(C(NCC7=C(C)C=C(C)NC7=O)=O)=C(C)C(N(C8CCOCC8)CC)=C6)CC4)=C31)=O CCN(C1=CC(C2=CC=C(CN3CCN(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]piperazin-1-yl]methyl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide E7 CCN(C1=CC(C2=CC=C(CN3CCN([R1])CC3)C=C2)=CC(C(NCC4=C(C)C=C(C)NC4=O)=O)=C1C)C5CCOCC5 OCCCCCCC [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)N(CC)C4CCOCC4)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4770/8140/7150 6686.666666666667 0 linker/linker_68.sdf warhead/warhead_1048.sdf e3_ligand/e3_ligand_16.sdf 1043 O14744 Protein arginine N-methyltransferase 5 PRMT5 SKB1Hs HRMT1L5 O=C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@@H](C)C(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)COCCOCCOCCOCCOCC(N(C4)CC4NC5=NC=NC(C(NC[C@H](O)CN6CC7=CC=CC=C7CC6)=O)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N3CC(NC4=CC(C(=O)NC[C@H](O)CN5CCC6=CC=CC=C6C5)=NC=N4)C3)C(C)(C)C)C=C2)SC=N1 N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]azetidin-3-yl]amino]pyrimidine-4-carboxamide 15 MS4322 O=C(C1=CC(NC2CN([R1])C2)=NC=N1)NC[C@H](O)CN3CCC4=CC=CC=C4C3 COCCOCCOCCOCCOCC=O O=C([R1])COCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CC(C1)NC2=NC=NC(=C2)C(=O)NC[C@@H](CN3CCC4=CC=CC=C4C3)O COCCOCCOCCOCCOCC=O [R1]C(=O)COCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1100 1100.0 0 linker/linker_1049.sdf warhead/warhead_1049.sdf e3_ligand/e3_ligand_23.sdf 1044 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C1=CC2=C(C(C3=C4NC=C3CN2C5=NC=C(F)C=C5F)=CN(C)C4=O)C=C1CS(C)(=O)=O)=O)=O)N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C=C2)SC=N1 8-(3,5-difluoropyridin-2-yl)-N-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 8 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C COCCOCCOCC [R2]COCCOCCOCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.5 28 7.5 28.0 1 linker/linker_168.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_27.sdf 1045 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(CCCCCCCCCCNC(C1=CC2=C(C(C3=C4NC=C3CN2C5=NC=C(F)C=C5F)=CN(C)C4=O)C=C1CS(C)(=O)=O)=O)=O)N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C=C2)SC=N1 8-(3,5-difluoropyridin-2-yl)-N-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl]-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 9 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.095 0.63 0.095 0.63 1 linker/linker_35.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_27.sdf 1046 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C1=CC2=C(C(C3=C4NC=C3CN2C5=NC=C(F)C=C5F)=CN(C)C4=O)C=C1CS(C)(=O)=O)=O)=O)N6C[C@H](O)C[C@H]6C(NCC7=C(OC8CCNCC8)C=C(C9=C(C)N=CS9)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1 8-(3,5-difluoropyridin-2-yl)-N-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)-2-piperidin-4-yloxyphenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 11 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C COCCOCCOCC [R2]COCCOCCOCC[R1] O=C(N1C[C@@H](C[C@H]1C(NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)=O)O)[C@@H](NC([R2])=O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)O)C(C)(C)C 180 220 180.0 220.0 1 linker/linker_168.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_1047.sdf 1047 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(CCCCCCCCCCNC(C1=CC2=C(C(C3=C4NC=C3CN2C5=NC=C(F)C=C5F)=CN(C)C4=O)C=C1CS(C)(=O)=O)=O)=O)N6C[C@H](O)C[C@H]6C(NCC7=C(OC8CCNCC8)C=C(C9=C(C)N=CS9)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC4=C(C=C3CS(C)(=O)=O)C3=CN(C)C(=O)C5=C3C(=C[NH]5)CN4C3=NC=C(F)C=C3F)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1 8-(3,5-difluoropyridin-2-yl)-N-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)-2-piperidin-4-yloxyphenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl]-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 12 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)=O)O)[C@@H](NC([R2])=O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)O)C(C)(C)C 3.4 40 3.4 40.0 1 linker/linker_35.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_1047.sdf 1048 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCC1=CC(OCCNC(C2=CC3=C(C(C4=C5NC=C4CN3C6=NC=C(F)C=C6F)=CN(C)C5=O)C=C2CS(C)(=O)=O)=O)=CC(N)=C1)=O)N7C[C@H](O)C[C@H]7C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(N)=CC(OCCNC(=O)C4=CC5=C(C=C4CS(C)(=O)=O)C4=CN(C)C(=O)C6=C4C(=C[NH]6)CN5C4=NC=C(F)C=C4F)=C3)C(C)(C)C)C=C2)SC=N1 N-[2-[3-amino-5-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethyl]phenoxy]ethyl]-8-(3,5-difluoropyridin-2-yl)-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 13 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C COCCC1=CC(OCC)=CC(N)=C1 NC1=CC(CCOC[R2])=CC(OCC[R1])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCOC1=CC(N)=CC(CCOC)=C1 [R1]CCOC1=CC(=CC(=C1)N)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2.1 91 2.1 91.0 1 linker/linker_1054.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_27.sdf 1049 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCC1=CC(OCCNC(C2=CC3=C(C(C4=C5NC=C4CN3C6=NC=C(F)C=C6F)=CN(C)C5=O)C=C2CS(C)(=O)=O)=O)=CC(O)=C1)=O)N7C[C@H](O)C[C@H]7C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(O)=CC(OCCNC(=O)C4=CC5=C(C=C4CS(C)(=O)=O)C4=CN(C)C(=O)C6=C4C(=C[NH]6)CN5C4=NC=C(F)C=C4F)=C3)C(C)(C)C)C=C2)SC=N1 8-(3,5-difluoropyridin-2-yl)-N-[2-[3-hydroxy-5-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethyl]phenoxy]ethyl]-15-methyl-4-(methylsulfonylmethyl)-14-oxo-8,12,15-triazatetracyclo[8.6.1.0^2,7.0^13,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-5-carboxamide 15 FC(C=C1F)=CN=C1N(C2=C3C=C(CS(C)(=O)=O)C(C(N[R1])=O)=C2)CC4=CNC5=C4C3=CN(C5=O)C COCCC1=CC(OCC)=CC(O)=C1 OC1=CC(CCOC[R2])=CC(OCC[R1])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=CC2=C(C=C1CS(=O)(=O)C)C3=CN(C(=O)C4=C3C(=CN4)CN2C5=C(C=C(C=N5)F)F)C CCOC1=CC(O)=CC(CCOC)=C1 [R1]CCOC1=CC(=CC(=C1)O)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.4 10 1.4 10.0 1 linker/linker_1055.sdf warhead/warhead_1050.sdf e3_ligand/e3_ligand_27.sdf 1050 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(N)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)=O)=O)N5C[C@H](O)C[C@H]5C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(N)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-aminophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 NC(C=C1)=CC=C1C(C2=C(N3C4=NN=C3C)SC(C)=C2C)=N[C@H]4CC([R1])=O COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)N)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 5000 20000.0 5000.0 0 linker/linker_215.sdf warhead/warhead_1056.sdf e3_ligand/e3_ligand_27.sdf 1051 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(C#CCN)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)=O)=O)N5C[C@H](O)C[C@H]5C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(C#CCN)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-[4-(3-aminoprop-1-ynyl)phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 NCC#CC(C=C1)=CC=C1C(C2=C(N3C4=NN=C3C)SC(C)=C2C)=N[C@H]4CC([R1])=O COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)C#CCN)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 930 2600 930.0 2600.0 1 linker/linker_215.sdf warhead/warhead_1057.sdf e3_ligand/e3_ligand_27.sdf 1052 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)=O)=O)N5C[C@H](O)C[C@H]5C(NCC6=C(OCCNC)C=C(C7=C(C)N=CS7)C=C6)=O CNCCOC1=CC(C2=C(C)N=CS2)=CC=C1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C2=C(SC(C)=C2C)N2C(C)=NN=C12)C(C)(C)C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[2-[2-(methylamino)ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OCCNC)=O)O)[C@@H](NC([R2])=O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OCCNC)O)C(C)(C)C 780 2800 780.0 2800.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1053.sdf 1053 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)=O)=O)N5C[C@H](O)C[C@H]5C(NCC6=C(OC7CCNCC7)C=C(C8=C(C)N=CS8)C=C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C(OC3CCNCC3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-piperidin-4-yloxyphenyl]methyl]pyrrolidine-2-carboxamide 7 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)=O)O)[C@@H](NC([R2])=O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)OC4CCNCC4)O)C(C)(C)C 350 2700 350.0 2700.0 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1047.sdf 1054 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCCC1=CC(OCCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C2=NN=C5C)=O)=CC(N)=C1)=O)N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCC3=CC(N)=CC(OCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[3-amino-5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]phenyl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCC1=CC(OCCN)=CC(N)=C1 NC1=CC(CCOC[R2])=CC(OCCN[R1])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCC1=CC(N)=CC(OCCN)=C1 [R1]NCCOC1=CC(=CC(=C1)N)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 85 1300 85.0 1300.0 1 linker/linker_1060.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1055 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COC[C@H]1C[C@H](CNC1)COCCNC(C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C4=C(SC(C)=C4C)N5C2=NN=C5C)=O)=O)N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COC[C@@H]3CNC[C@H](COCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[(3S,5R)-5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxymethyl]piperidin-3-yl]methoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COC[C@H]1C[C@@H](COCCN)CNC1 [R1]NCCOC[C@@H](CNC1)C[C@@H]1COC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COC[C@@H]1CNC[C@H](COCCN)C1 [R1]NCCOC[C@@H]1C[C@@H](CNC1)COC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 280 3800 280.0 3800.0 1 linker/linker_1061.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1056 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(CCC1=CC(CCOCCOCC#CC2=CC=C(C3=N[C@@H](CC4=NC=CS4)C5=NN=C(C)N5C6=C3C(C)=C(C)S6)C=C2)=CC(N)=C1)=O)N7C[C@H](O)C[C@H]7C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC(N)=CC(CCOCCOCC#CC4=CC=C(C5=N[C@@H](CC6=NC=CS6)C6=NN=C(C)N6C6=C5C(C)=C(C)S6)C=C4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[3-amino-5-[2-[2-[3-[4-[(9S)-4,5,13-trimethyl-9-(1,3-thiazol-2-ylmethyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-7-yl]phenyl]prop-2-ynoxy]ethoxy]ethyl]phenyl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 CC(N1C2=C3C(C)=C(S2)C)=NN=C1[C@H](CC4=NC=CS4)N=C3C5=CC=C([R1])C=C5 CCC1=CC(CCOCCOCC#C)=CC(N)=C1 NC1=CC(CC[R2])=CC(CCOCCOCC#C[R1])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(=C(S4)C)C)C)CC5=NC=CS5 C#CCOCCOCCC1=CC(N)=CC(CC)=C1 [R1]C#CCOCCOCCC1=CC(=CC(=C1)CC[R2])N [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 87 480 87.0 480.0 1 linker/linker_1062.sdf warhead/warhead_1062.sdf e3_ligand/e3_ligand_27.sdf 1057 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(CCC1=CC(CCOCCOCC#CC2=CC=C(C3=N[C@@H](CC(NCCS(=O)(O)=O)=O)C4=NN=C(C)N4C5=C3C(C)=C(C)S5)C=C2)=CC(N)=C1)=O)N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC(N)=CC(CCOCCOCC#CC4=CC=C(C5=N[C@@H](CC(=O)NCCS(=O)(=O)O)C6=NN=C(C)N6C6=C5C(C)=C(C)S6)C=C4)=C3)C(C)(C)C)C=C2)SC=N1 2-[[2-[(9S)-7-[4-[3-[2-[2-[3-amino-5-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]ethoxy]ethoxy]prop-1-ynyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethanesulfonic acid 11 O=S(CCNC(C[C@@H](C1=NN=C(N1C2=C3C(C)=C(S2)C)C)N=C3C4=CC=C([R1])C=C4)=O)(O)=O CCC1=CC(CCOCCOCC#C)=CC(N)=C1 NC1=CC(CC[R2])=CC(CCOCCOCC#C[R1])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=N[C@H](C3=NN=C(N3C4=C2C(=C(S4)C)C)C)CC(=O)NCCS(=O)(=O)O C#CCOCCOCCC1=CC(N)=CC(CC)=C1 [R1]C#CCOCCOCCC1=CC(=CC(=C1)CC[R2])N [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6500 11000 6500.0 11000.0 0 linker/linker_1062.sdf warhead/warhead_1063.sdf e3_ligand/e3_ligand_27.sdf 1058 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H](C(C)(C)C)NC(COCC#CC#CCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)=O)=O)N5C[C@H](O)C[C@H]5C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCC#CC#CCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[6-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]hexa-2,4-diynoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCC#CC#CCN [R1]NCC#CC#CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCC#CC#CCN [R1]NCC#CC#CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.2 67 7.2 67.0 1 linker/linker_1064.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1059 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(NC1=C(OCC)C=C2C(N(C)C(CCC(C)(C)C(NCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)=N2)=C1)C6=NC(C(F)(F)F)=CC=C6 CCOC1=CC2=C(C=C1NC(=O)C1=CC=CC(C(F)(F)F)=N1)N(C)C(CCC(C)(C)C(=O)NCCOCCOCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)=N2 N-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylamino]-3,3-dimethyl-4-oxobutyl]-6-ethoxy-3-methylbenzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide 9 O=C([R1])C(C)(C)CCC1=NC2=CC(OCC)=C(NC(C3=NC(C(F)(F)F)=CC=C3)=O)C=C2N1C NCCOCCOCC [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C(C)(C)CCC1=NC2=CC(=C(C=C2N1C)NC(=O)C3=NC(=CC=C3)C(F)(F)F)OCC CCOCCOCCN [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4600/7600 6100.0 0 linker/linker_416.sdf warhead/warhead_1065.sdf e3_ligand/e3_ligand_7.sdf 1060 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC(C=C3)=CC=C3C(NCC4=CN(CCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)N=N4)=O)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 16(FC-1) FC-1 [R1]NC(C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1)=O CC1=CN(CCOCC)N=N1 [R1]CC1=CN(CCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37/71 54.0 0 linker/linker_341.sdf warhead/warhead_1066.sdf e3_ligand/e3_ligand_7.sdf 1061 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC(C=C3)=CC=C3C(NCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)N=N4)=O)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 17(FC-2) FC-2 [R1]NC(C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1)=O CC1=CN(CCOCCOCC)N=N1 [R1]CC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32/60 46.0 0 linker/linker_213.sdf warhead/warhead_1066.sdf e3_ligand/e3_ligand_7.sdf 1062 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC(C=C3)=CC=C3C(NCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)N=N4)=O)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 18(FC-3) FC-3 [R1]NC(C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1)=O CC1=CN(CCOCCOCCOCC)N=N1 [R1]CC1=CN(CCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5/22 13.5 0 linker/linker_359.sdf warhead/warhead_1066.sdf e3_ligand/e3_ligand_7.sdf 1063 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(N(C1CCC(NC1=O)=O)C2=O)C3=C2C=CC=C3NCCOCCN4N=NC(CNC(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NCC7=C(N(S(=O)(C)=O)C)N=CC=C7)=N6)C=C5)=O)=C4 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 19(FC-4) FC-4 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCN1N=NC(CNC=O)=C1 O=C([R1])NCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 55/81 68.0 0 linker/linker_1069.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1064 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(N(C1CCC(NC1=O)=O)C2=O)C3=C2C=CC=C3NCCOCCOCCN4N=NC(CNC(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NCC7=C(N(S(=O)(C)=O)C)N=CC=C7)=N6)C=C5)=O)=C4 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 20(FC-5) FC-5 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1N=NC(CNC=O)=C1 O=C([R1])NCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 40/65 52.5 0 linker/linker_1070.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1065 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1NCCOCCOCCOCCN3N=NC(CNC(C4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(C(=O)NCC3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O N-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]-4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 21(FC-6) FC-6 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCN1N=NC(CNC=O)=C1 O=C([R1])NCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCN1C=C(CNC=O)N=N1 [R1]C(=O)NCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10/30 20.0 0 linker/linker_1071.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1066 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(NC(C4=CN(N=N4)CCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C=C3)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-N-[4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 22(FC-7) FC-7 [R1]C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1 NC(C1=CN(N=N1)CCOCC)=O O=C(C1=CN(N=N1)CCOCC[R2])N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32/90 61.0 0 linker/linker_1072.sdf warhead/warhead_1072.sdf e3_ligand/e3_ligand_7.sdf 1067 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(NC(C4=CN(N=N4)CCOCCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C=C3)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 23(FC-8) FC-8 [R1]C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1 NC(C1=CN(N=N1)CCOCCOCC)=O O=C(C1=CN(N=N1)CCOCCOCC[R2])N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 71/96 83.5 1 linker/linker_907.sdf warhead/warhead_1072.sdf e3_ligand/e3_ligand_7.sdf 1068 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(N(C)C(N=CC=N1)=C1CNC2=C(C(F)(F)F)C=NC(NC3=CC=C(NC(C4=CN(N=N4)CCOCCOCCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C=C3)=N2)(=O)=O CN(C1=NC=CN=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 24(FC-9) FC-9 [R1]C1=CC=C(NC2=NC(NCC3=C(N=CC=N3)N(S(C)(=O)=O)C)=C(C=N2)C(F)(F)F)C=C1 NC(C1=CN(CCOCCOCCOCC)N=N1)=O O=C(C1=CN(CCOCCOCCOCC[R2])N=N1)N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35/92 63.5 0 linker/linker_1074.sdf warhead/warhead_1072.sdf e3_ligand/e3_ligand_7.sdf 1069 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CN(C1=C(C=CC=N1)CNC2=NC(NC3=CC=C(C=C3)NC(C4=CN(N=N4)CCOCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)=NC=C2C(F)(F)F)S(=O)(C)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 25(FC-10) FC-10 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCOCC)=O O=C(C1=CN(N=N1)CCOCC[R2])N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 40/92 66.0 0 linker/linker_1072.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1070 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(N(C1CCC(NC1=O)=O)C2=O)C3=C2C=CC=C3NCCOCCOCCOCCN4N=NC(C(NC5=CC=C(NC6=NC=C(C(F)(F)F)C(NCC7=C(N(S(=O)(C)=O)C)N=CC=C7)=N6)C=C5)=O)=C4 CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 27(FC-12) FC-12 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(CCOCCOCCOCC)N=N1)=O O=C(C1=CN(CCOCCOCCOCC[R2])N=N1)N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46/94 70.0 1 linker/linker_1074.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1071 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1NCCOCCOCCOCCOCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 28(FC-13) FC-13 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCOCCOCCOCCOCC)=O O=C(N[R1])C1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCOCCOCCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30/82 56.0 0 linker/linker_1077.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1072 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1NCCCCCCCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 29(FC-14) FC-14 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCCCCCCN1N=NC(C(N)=O)=C1 O=C(N[R1])C1=CN(N=N1)CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCCCCCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 67/93 80.0 1 linker/linker_1078.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_7.sdf 1073 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1C#CCOCCOCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]prop-2-ynoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 30(FC-15) FC-15 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCOCCOCC#C)=O O=C(N[R1])C1=CN(N=N1)CCOCCOCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F C#CCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62/90 76.0 1 linker/linker_1079.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1074 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1C#CCOCCCCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCOCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[5-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]prop-2-ynoxy]pentyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 31(FC-16) FC-16 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCCCCOCC#C)=O O=C(N[R1])C1=CN(N=N1)CCCCCOCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F C#CCOCCCCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCCCCOCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62/90 76.0 1 linker/linker_1080.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1075 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1C#CCCCCCCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCC#CC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]non-8-ynyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 32(FC-17) FC-17 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCCCCCCC#C)=O O=C(N[R1])C1=CN(N=N1)CCCCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F C#CCCCCCCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCCCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62/90 76.0 1 linker/linker_1081.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1076 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1CCCOCCOCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCOCCOCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]ethyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 33(FC-18) FC-18 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCOCCOCCC)=O O=C(N[R1])C1=CN(N=N1)CCOCCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCOCCOCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCOCCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 85/95 90.0 1 linker/linker_1082.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1077 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1CCCOCCCCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCOCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[5-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]pentyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 34(FC-19) FC-19 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCCCCOCCC)=O O=C(N[R1])C1=CN(N=N1)CCCCCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCOCCCCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCCCCOCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62/90 76.0 1 linker/linker_1083.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1078 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(C1=C2C=CC=C1CCCCCCCCCN3N=NC(C(NC4=CC=C(C=C4)NC5=NC=C(C(NCC6=C(N=CC=C6)N(C)S(=O)(C)=O)=N5)C(F)(F)F)=O)=C3)N(C2=O)C7CCC(NC7=O)=O CN(C1=NC=CC=C1CNC1=NC(NC2=CC=C(NC(=O)C3=CN(CCCCCCCCCC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C=C2)=NC=C1C(F)(F)F)S(C)(=O)=O 1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonyl]-N-[4-[[4-[[2-[methyl(methylsulfonyl)amino]pyridin-3-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]triazole-4-carboxamide 35(FC-20) FC-20 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F NC(C1=CN(N=N1)CCCCCCCCC)=O O=C(N[R1])C1=CN(N=N1)CCCCCCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=C(N=CC=C3)N(C)S(=O)(=O)C)C(F)(F)F CCCCCCCCCN1C=C(C(N)=O)N=N1 [R1]NC(=O)C1=CN(N=N1)CCCCCCCCC[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40/85 62.5 0 linker/linker_1084.sdf warhead/warhead_907.sdf e3_ligand/e3_ligand_16.sdf 1079 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC(C=C1N/C(C2=NON=C2NCCNCCOCCOCC(NC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)=O)=N/O)=C(C=C1)F O=C1CCC(N2CC3=C(NC(=O)COCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1 2-[2-[2-[2-[[4-[(E)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethylamino]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 1a [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O CCOCCOCC=O O=C([R2])COCCOCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >40000 40000.0 0 linker/linker_250.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_17.sdf 1080 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC(C=C1N/C(C2=NON=C2NCCNCCOCCOCCOCC(NC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)=O)=N/O)=C(C=C1)F O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1 2-[2-[2-[2-[2-[[4-[(E)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethylamino]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 1b [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O O=CCOCCOCCOCC O=C([R2])COCCOCCOCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >40000 40000.0 0 linker/linker_554.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_17.sdf 1081 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC(C=C1N/C(C2=NON=C2NCCNCCOCCOCCOCCOCC(NC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)=O)=N/O)=C(C=C1)F O=C1CCC(N2CC3=C(NC(=O)COCCOCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)C=CC=C3C2=O)C(=O)N1 2-[2-[2-[2-[2-[2-[[4-[(E)-N-(3-bromo-4-fluorophenyl)-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]amino]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide 1c [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O O=CCOCCOCCOCCOCC O=C([R2])COCCOCCOCCOCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >40000 40000.0 0 linker/linker_555.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_17.sdf 1082 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC1=C(F)C=CC(N/C(C2=NON=C2NCCNCCOCCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=N/O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1 N-(3-bromo-4-fluorophenyl)-4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]ethylamino]-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide 2a [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >40000 40000.0 0 linker/linker_15.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_7.sdf 1083 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC1=C(F)C=CC(N/C(C2=NON=C2NCCNCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=N/O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1 N-(3-bromo-4-fluorophenyl)-4-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethylamino]-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide 2b [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34270 34270.0 0 linker/linker_828.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_7.sdf 1084 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC1=C(F)C=CC(N/C(C2=NON=C2NCCNCCOCCOCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=N/O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1 N-(3-bromo-4-fluorophenyl)-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethylamino]-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide 2c [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O CCOCCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2840 35380 2840.0 35380.0 0 linker/linker_1090.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_7.sdf 1085 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO BrC1=C(F)C=CC(N/C(C2=NON=C2NCCNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=N/O)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNCCNC4=NON=C4/C(=N\O)NC4=CC=C(F)C(Br)=C4)=C3C2=O)C(=O)N1 N-(3-bromo-4-fluorophenyl)-4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethylamino]-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide 2d [R1]NCCNC1=NON=C1/C(NC2=CC(Br)=C(F)C=C2)=N\O CCOCCOCCOCCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCNC1=NON=C1/C(=N\O)/NC2=CC(=C(C=C2)F)Br CCOCCOCCOCCOCCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37430 37430.0 0 linker/linker_1091.sdf warhead/warhead_1085.sdf e3_ligand/e3_ligand_7.sdf 1086 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N(C1CCC(NC1=O)=O)C2=O)C3=C2C=CC=C3NCCOCCOCCOCCN4N=NC(CNC5(CCN(CC5)C6=CN=C(C(N)=N6)C7=CC=CC(Cl)=C7Cl)C)=C4 CC1(NCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1 4-[2-[2-[2-[2-[4-[[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP3 CC1(CCN(CC1)C2=CN=C(C(N)=N2)C3=CC=CC(Cl)=C3Cl)N[R1] CC1=CN(CCOCCOCCOCC)N=N1 [R1]CC1=CN(CCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)C CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.77 5.77 1 linker/linker_359.sdf warhead/warhead_1092.sdf e3_ligand/e3_ligand_7.sdf 1087 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(N(C1CCC(NC1=O)=O)C2=O)C3=C2C=CC=C3NCCOCCOCCOCCOCCN4N=NC(CNC5(CCN(CC5)C6=CN=C(C(N)=N6)C7=CC=CC(Cl)=C7Cl)C)=C4 CC1(NCC2=CN(CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CCN(C2=CN=C(C3=CC=CC(Cl)=C3Cl)C(N)=N2)CC1 4-[2-[2-[2-[2-[2-[4-[[[1-[6-amino-5-(2,3-dichlorophenyl)pyrazin-2-yl]-4-methylpiperidin-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP4 CC1(CCN(CC1)C2=CN=C(C(N)=N2)C3=CC=CC(Cl)=C3Cl)N[R1] CC1=CN(CCOCCOCCOCCOCC)N=N1 [R1]CC1=CN(CCOCCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)C CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.3 4.3 1 linker/linker_361.sdf warhead/warhead_1092.sdf e3_ligand/e3_ligand_7.sdf 1088 P35348 Alpha-1A adrenergic receptor ADRA1A ADRA1C O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCN4N=NC(C(N5CCN(C6=NC(N)=C7C=C(OC)C(OC)=CC7=N6)CC5)=O)=C4 COC1=CC2=NC(N3CCN(C(=O)C4=CN(CCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)=NC(N)=C2C=C1OC 2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 9a COC1=C(OC)C=C2C(C(N)=NC(N3CCN(C([R1])=O)CC3)=N2)=C1 O=CCOCCN1N=NC=C1 O=C([R2])COCCN1N=NC([R1])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC O=CCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4320 4320.0 0 linker/linker_1094.sdf warhead/warhead_1094.sdf e3_ligand/e3_ligand_7.sdf 1089 P35348 Alpha-1A adrenergic receptor ADRA1A ADRA1C O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCOCCN4N=NC(C(N5CCN(C6=NC(N)=C7C=C(OC)C(OC)=CC7=N6)CC5)=O)=C4 COC1=CC2=NC(N3CCN(C(=O)C4=CN(CCOCCOCCOCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)=NC(N)=C2C=C1OC 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 9c COC1=C(OC)C=C2C(C(N)=NC(N3CCN(C([R1])=O)CC3)=N2)=C1 O=CCOCCOCCOCCN1N=NC=C1 O=C([R2])COCCOCCOCCN1N=NC([R1])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC O=CCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2860 6120 2860.0 6120.0 0 linker/linker_1095.sdf warhead/warhead_1094.sdf e3_ligand/e3_ligand_7.sdf 1090 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NC1=CC=C(F)C=C1N)C2=CC=C(NC(CCCCNC(CNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)=O)C=C2 NC1=CC(F)=CC=C1NC(=O)C1=CC=C(NC(=O)CCCCNC(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-amino-4-fluorophenyl)-4-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentanoylamino]benzamide HD-TAC7 HD-TAC7 [R1]C(NC1=CC=C(C(NC2=CC=C(F)C=C2N)=O)C=C1)=O CCCCNC(C)=O O=C(NCCCC[R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N CCCCNC(C)=O [R1]CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 320 320.0 1 linker/linker_65.sdf warhead/warhead_1110.sdf e3_ligand/e3_ligand_7.sdf 1091 P10275 Androgen receptor AR DHTR NR3C4 O=C([C@H]1N(C([C@@H](NC(COCCN2CCN(C3=NC=C(C(N4[C@@]5([H])C[C@H](OC6=CC=C(C#N)C(Cl)=C6)C[C@]4([H])CC5)=O)C=N3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(C4=NC=C(C(=O)N5[C@H]6CC[C@@H]5C[C@H](OC5=CC=C(C#N)C(Cl)=C5)C6)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[4-[5-[(1S,5R)-3-(3-chloro-4-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]pyrimidin-2-yl]piperazin-1-yl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide A031 A031 [H][C@]12N([R1])[C@@]([H])(CC2)C[C@@H](OC3=CC=C(C(Cl)=C3)C#N)C1 O=CC1=CN=C(N=C1)N2CCN(CC2)CCOC O=C([R1])C1=CN=C(N=C1)N2CCN(CC2)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1[C@@H]2CC[C@H]1C[C@H](C2)OC3=CC(=C(C=C3)C#N)Cl COCCN1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]C(=O)C1=CN=C(N=C1)N2CCN(CC2)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 250 250.0 1 linker/linker_1111.sdf warhead/warhead_1111.sdf e3_ligand/e3_ligand_23.sdf 1092 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(C(C)C)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[3-amino-4-[3-[(3-propan-2-ylphenyl)carbamoylamino]phenyl]indazol-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-1 CC(C1=CC(NC(NC2=CC=CC(C3=C4C(N([R1])N=C4N)=CC=C3)=C2)=O)=CC=C1)C CCCCCC=O O=C([R1])CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(C)C CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >100000 100000.0 0 linker/linker_255.sdf warhead/warhead_1112.sdf e3_ligand/e3_ligand_27.sdf 1093 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(C(C)C)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[12-[3-amino-4-[3-[(3-propan-2-ylphenyl)carbamoylamino]phenyl]indazol-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-2 CC(C1=CC(NC(NC2=CC=CC(C3=C4C(N([R1])N=C4N)=CC=C3)=C2)=O)=CC=C1)C CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(C)C CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32793 32793.0 0 linker/linker_461.sdf warhead/warhead_1112.sdf e3_ligand/e3_ligand_27.sdf 1094 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(C(C)C)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(C(C)C)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[16-[3-amino-4-[3-[(3-propan-2-ylphenyl)carbamoylamino]phenyl]indazol-1-yl]-16-oxohexadecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-3 CC(C1=CC(NC(NC2=CC=CC(C3=C4C(N([R1])N=C4N)=CC=C3)=C2)=O)=CC=C1)C CCCCCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(C)C CCCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >100000 100000.0 0 linker/linker_902.sdf warhead/warhead_1112.sdf e3_ligand/e3_ligand_27.sdf 1095 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=C(NC(NC5=CC(C)=CC=C5F)=O)C=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=CC=CC4=C3C(N)=NN4C(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=C1 (2S,4R)-1-[(2S)-2-[[7-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]indazol-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-4 CC1=CC(NC(NC2=CC=C(C3=C4C(N([R1])N=C4N)=CC=C3)C=C2)=O)=C(F)C=C1 CCCCCC=O O=C([R1])CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C)F CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 133248 133248.0 0 linker/linker_255.sdf warhead/warhead_1115.sdf e3_ligand/e3_ligand_27.sdf 1096 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCC(N2C3=CC=CC(C(C=C4)=CC=C4NC(NC(C=C5C)=C(C=C5)F)=O)=C3C(N)=N2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=CC=C(F)C(NC(=O)NC2=CC=C(C3=CC=CC4=C3C(N)=NN4C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=C1 (2S,4R)-1-[(2S)-2-[[12-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]indazol-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-5 CC1=CC(NC(NC2=CC=C(C3=C4C(N([R1])N=C4N)=CC=C3)C=C2)=O)=C(F)C=C1 CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C)F CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 38650 38650.0 0 linker/linker_461.sdf warhead/warhead_1115.sdf e3_ligand/e3_ligand_27.sdf 1097 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C(N(C)C)C1=CN(C2=NC(NC3=CC=C(C=C3)C(NCCCCCCNC4=CC=CC(C(N5C(C(N6)=O)CCC6=O)=O)=C4C5=O)=O)=NC=C21)C7CCCC7 CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12 7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-5-carboxamide 3 CN(C(C1=CC2=CN=C(NC3=CC=C(C([R1])=O)C=C3)N=C2N1C4CCCC4)=O)C NCCCCCC [R2]CCCCCCN[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)NC2=NC=C3C=C(N(C3=N2)C4CCCC4)C(=O)N(C)C CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97.6/165.9 131.75 1 linker/linker_415.sdf warhead/warhead_1117.sdf e3_ligand/e3_ligand_7.sdf 1098 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(N(C)C)C1=CN(C2=NC(NC3=CC=C(C=C3)C(NCCCCCCNC4=CC=CC(C(N5C(C(N6)=O)CCC6=O)=O)=C4C5=O)=O)=NC=C21)C7CCCC7 CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12 7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-5-carboxamide 3 CN(C(C1=CC2=CN=C(NC3=CC=C(C([R1])=O)C=C3)N=C2N1C4CCCC4)=O)C NCCCCCC [R2]CCCCCCN[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)NC2=NC=C3C=C(N(C3=N2)C4CCCC4)C(=O)N(C)C CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97.6/165.9 131.75 1 linker/linker_415.sdf warhead/warhead_1117.sdf e3_ligand/e3_ligand_7.sdf 1099 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N(C)C)C1=CN(C2=NC(NC3=CC=C(C=C3)C(NCCCCCCNC4=CC=CC(C(N5C(C(N6)=O)CCC6=O)=O)=C4C5=O)=O)=NC=C21)C7CCCC7 CN(C)C(=O)C1=CN(C2CCCC2)C2=NC(NC3=CC=C(C(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C12 7-cyclopentyl-2-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]anilino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-5-carboxamide 3 CN(C(C1=CC2=CN=C(NC3=CC=C(C([R1])=O)C=C3)N=C2N1C4CCCC4)=O)C NCCCCCC [R2]CCCCCCN[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)NC2=NC=C3C=C(N(C3=N2)C4CCCC4)C(=O)N(C)C CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97.6/165.9 131.75 1 linker/linker_415.sdf warhead/warhead_1117.sdf e3_ligand/e3_ligand_7.sdf 1100 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]propanamide A1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCC)=O O=C(NCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCCCNC(=O)CC [R1]CCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_592.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1101 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]propanamide A2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCC)=O O=C(NCCCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_596.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1102 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide A3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCCC)=O O=C(NCCCCCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCCCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1122.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1103 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]propanamide B1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCC)=O O=C(NCCOCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCNC(=O)CC [R1]CCC(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/5000/4570 9856.666666666666 0 linker/linker_1123.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1104 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]propanamide B2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCC)=O O=C(NCCOCCOCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCNC(=O)CC [R1]CCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 700/2600/2230 1843.3333333333333 0 linker/linker_1124.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1105 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]propanamide B3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCOCC)=O O=C(NCCOCCOCCOCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCOCCNC(=O)CC [R1]CCC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 300/1600/1180 1026.6666666666667 0 linker/linker_1125.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1106 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide B4 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCOCCOCCOCCOCCNC(=O)CC [R1]CCC(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8370/>20000/>20000 16123.333333333334 0 linker/linker_1126.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1107 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCNCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]butyl]propanamide C1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCNCC=O)=O O=C(NCCCCNCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCNCC=O [R1]CCC(=O)NCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3520/13380/8150 8350.0 0 linker/linker_1127.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1108 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCNCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]hexyl]propanamide C2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCNCC=O)=O O=C(NCCCCCCNCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCCCNCC=O [R1]CCC(=O)NCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1100/5130/4360 3530.0 0 linker/linker_1128.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1109 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCCCNCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[8-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]octyl]propanamide C3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCCCNCC=O)=O O=C(NCCCCCCCCNCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCCCCCNCC=O [R1]CCC(=O)NCCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2660/>20000/7670 10110.0 0 linker/linker_1129.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1110 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCNCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]ethoxy]ethyl]propanamide D1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCNCC=O)=O O=C(NCCOCCNCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCNCC=O [R1]CCC(=O)NCCOCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1830/6730/5780 4780.0 0 linker/linker_1130.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1111 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCNCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]ethoxy]ethoxy]ethyl]propanamide D2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCNCC=O)=O O=C(NCCOCCOCCNCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCOCCNCC=O [R1]CCC(=O)NCCOCCOCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2340/5810/5860 4670.0 0 linker/linker_1131.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1112 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCOCCOCCOCCNC(CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4)=O CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]amino]ethoxy]ethoxy]ethoxy]ethyl]propanamide D3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C O=CCNCCOCCOCCOCCNC(CC)=O O=C([R2])CNCCOCCOCCOCCNC(CC[R1])=O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCOCCOCCNCC=O [R1]CCC(=O)NCCOCCOCCOCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/12210 17403.333333333332 0 linker/linker_1132.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1113 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCNCCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]butylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide E1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCNCCC=O)=O O=C(NCCCCNCCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCNCCC=O [R1]CCC(=O)NCCCCNCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/14340/9050 14463.333333333334 0 linker/linker_1133.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1114 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCNCCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[6-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]hexylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide E2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCNCCC=O)=O O=C(NCCCCCCNCCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCCCNCCC=O [R1]CCC(=O)NCCCCCCNCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1134.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1115 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCNCCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[2-[2-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]ethoxy]ethylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide F1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCNCCC=O)=O O=C(NCCOCCNCCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCNCCC=O [R1]CCC(=O)NCCOCCNCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4860/10900/7980 7913.333333333333 0 linker/linker_1135.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1116 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCNCCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[2-[2-[2-[3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]propanoylamino]ethoxy]ethoxy]ethylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide F2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCNCCC=O)=O O=C(NCCOCCOCCNCCC([R2])=O)CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCOCCNCCC=O [R1]CCC(=O)NCCOCCOCCNCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/6010/5520 10510.0 0 linker/linker_1136.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 1117 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]propanamide G1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCNC(CO)=O)=O O=C(NCCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCNC(=O)CO [R1]CCC(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1300/>20000/6990 9430.0 0 linker/linker_1137.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1118 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]propanamide G2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCNC(CO)=O)=O O=C(NCCCCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCCCNC(=O)CO [R1]CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/4660/3870 9510.0 0 linker/linker_1138.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1119 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCCCCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]propanamide G3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCCCCCCCNC(CO)=O)=O O=C(NCCCCCCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCCCCCCCNC(=O)CO [R1]CCC(=O)NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1139.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1120 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethyl]propanamide H1 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCNC(CO)=O)=O O=C(NCCOCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCNC(=O)CO [R1]CCC(=O)NCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5410/>20000/7940 11116.666666666666 0 linker/linker_1140.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1121 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethyl]propanamide H2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCNC(CO)=O)=O O=C(NCCOCCOCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCOCCNC(=O)CO [R1]CCC(=O)NCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1141.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1122 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NCCOCCOCCOCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCN4CCC(C5=CC(OC(C)C)=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C=C5C)CC4 CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(CCC(=O)NCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 3-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]propanamide H3 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(NCCOCCOCCOCCNC(CO)=O)=O O=C(NCCOCCOCCOCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCC(=O)NCCOCCOCCOCCNC(=O)CO [R1]CCC(=O)NCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1142.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_16.sdf 1123 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide P1 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC=O O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 220 220.0 1 linker/linker_256.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1124 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide P1 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC=O O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 9301 9301.0 0 linker/linker_256.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1125 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide P1 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC=O O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1.41 1.41 1 linker/linker_256.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1126 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide P2 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCCC=O O=C([R2])CCCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 240 240.0 1 linker/linker_257.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1127 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide P2 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCCC=O O=C([R2])CCCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3776 3776.0 0 linker/linker_257.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1128 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C8CCCC8)C7=N6)C=C5)CC4)C=CC=C3C2=O)C(=O)N1 8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]octanamide P2 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCCC=O O=C([R2])CCCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2.61 2.61 1 linker/linker_257.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1129 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P3 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 245 245.0 1 linker/linker_12.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1130 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P3 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 126.2 203 126.2 203.0 1 linker/linker_12.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1131 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P3 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.51 0.83 0.51 0.83 1 linker/linker_12.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1132 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P4 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 330 330.0 1 linker/linker_13.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1133 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P4 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 151.2 970 151.2 970.0 1 linker/linker_13.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1134 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P4 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.54 0.76 3.54 0.76 1 linker/linker_13.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_27.sdf 1135 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CN(CCOCCOCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4)C CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P5 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCC)C O=C([R2])CN(CCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCN(C)CC=O [R1]CCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2667 2667.0 0 linker/linker_1155.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1136 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CN(CCOCCOCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4)C CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P5 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCC)C O=C([R2])CN(CCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCN(C)CC=O [R1]CCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1211 1211.0 0 linker/linker_1155.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1137 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CN(CCOCCOCCN4CCN(C5=CC=C(NC6=NC=C7N=C(NC8=CC=CC=C8)N(C9CCCC9)C7=N6)C=C5)CC4)C CN(CCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P5 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCC)C O=C([R2])CN(CCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCN(C)CC=O [R1]CCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1.39 1.39 1 linker/linker_1155.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1138 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(CN(CCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P6 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1.91 2 1.91 2.0 1 linker/linker_1158.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1139 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(CN(CCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P6 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1856 1856.0 0 linker/linker_1158.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1140 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(CN(CCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P6 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3176 3176.0 0 linker/linker_1158.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1141 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(CN(CCOCCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P7 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2723 2723.0 0 linker/linker_1161.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1142 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(CN(CCOCCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P7 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3336 3336.0 0 linker/linker_1161.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1143 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(CN(CCOCCOCCOCCOCCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4N=C(N(C4=N3)C5CCCC5)NC6=CC=CC=C6)C)NC7=CC=CC8=C7CN(C8=O)C(C(N9)=O)CCC9=O CN(CCOCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C4N=C(NC5=CC=CC=C5)N(C5CCCC5)C4=N3)C=C2)CC1)CC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P7 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 O=CCN(CCOCCOCCOCCOCC)C O=C([R2])CN(CCOCCOCCOCCOCC[R1])C [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCOCCN(C)CC=O [R1]CCOCCOCCOCCOCCN(C)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 2.83 2.83 1 linker/linker_1161.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_17.sdf 1144 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P8 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1100 1100.0 0 linker/linker_1.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1145 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P8 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53.49 53.49 1 linker/linker_1.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1146 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P9 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2100 2100.0 0 linker/linker_15.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1147 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P9 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54.38 54.38 1 linker/linker_15.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1148 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NCCOCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P10 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2894 2894.0 0 linker/linker_238.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1149 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NCCOCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5N=C(NC6=CC=CC=C6)N(C7CCCC7)C5=N4)C=C3)CC2)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6N=C(NC7=CC=CC=C7)N(C7CCCC7)C6=N5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[4-[4-[(8-anilino-9-cyclopentylpurin-2-yl)amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P10 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C5CCCC5)C(NC6=CC=CC=C6)=N4)=N3)C=C2)CC1 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)C6CCCC6 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 62 62.0 1 linker/linker_238.sdf warhead/warhead_1143.sdf e3_ligand/e3_ligand_450.sdf 1150 Q92793 CREB-binding protein CBP CREBBP O=C(N1CCC(N(C2CCN(C(CCOCCOCCOCCOCCNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)CC2)N=C6N7CCCC8=C7C=C(C(F)F)C(C9=CN(C)N=C9)=C8)=C6C1)NC CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide dCBP-1 dCBP-1 CNC(N1CCC2=C(C(N3CCCC4=CC(C5=CN(C)N=C5)=C(C(F)F)C=C43)=NN2C6CCN([R1])CC6)C1)=O O=CCCOCCOCCOCCOCCN O=C([R1])CCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=C(CN(CC3)C(=O)NC)C(=N2)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C NCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.75 4.8 0.75 4.8 1 linker/linker_1170.sdf warhead/warhead_1170.sdf e3_ligand/e3_ligand_616.sdf 1151 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(N1CCC(N(C2CCN(C(CCOCCOCCOCCOCCNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)CC2)N=C6N7CCCC8=C7C=C(C(F)F)C(C9=CN(C)N=C9)=C8)=C6C1)NC CNC(=O)N1CCC2=C(C1)C(N1CCCC3=CC(C4=CN(C)N=C4)=C(C(F)F)C=C31)=NN2C1CCN(C(=O)CCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide dCBP-1 dCBP-1 CNC(N1CCC2=C(C(N3CCCC4=CC(C5=CN(C)N=C5)=C(C(F)F)C=C43)=NN2C6CCN([R1])CC6)C1)=O O=CCCOCCOCCOCCOCCN O=C([R1])CCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=C(CN(CC3)C(=O)NC)C(=N2)N4CCCC5=CC(=C(C=C54)C(F)F)C6=CN(N=C6)C NCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.85 1.85 1 linker/linker_1170.sdf warhead/warhead_1170.sdf e3_ligand/e3_ligand_616.sdf 1152 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N[C@@H]1CC[C@@H](C(NCCCNC(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)=O)CC1)C5=CN=C(N6C=CC7=CC(C#N)=CN=C76)C=C5NC(C)C CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propylcarbamoyl]cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide Degrader-2 O=C(C1=CN=C(C=C1NC(C)C)N2C=CC3=CC(C#N)=CN=C32)N[C@@H]4CC[C@H](CC4)C(N[R1])=O CCCNC(CO)=O O=C(NCCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2NC(C)C)N3C4=NC=C(C=C4C=C3)C#N CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 485 485.0 1 linker/linker_996.sdf warhead/warhead_1172.sdf e3_ligand/e3_ligand_16.sdf 1153 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N[C@@H]1CC[C@@H](C(NCCCCNC(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)=O)CC1)C5=CN=C(N6C=CC7=CC(C#N)=CN=C76)C=C5NC(C)C CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylcarbamoyl]cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide Degrader-3 O=C(C1=CN=C(C=C1NC(C)C)N2C=CC3=CC(C#N)=CN=C32)N[C@@H]4CC[C@H](CC4)C(N[R1])=O CCCCNC(CO)=O O=C(NCCCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2NC(C)C)N3C4=NC=C(C=C4C=C3)C#N CCCCNC(=O)CO [R1]CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 190 190.0 1 linker/linker_62.sdf warhead/warhead_1172.sdf e3_ligand/e3_ligand_16.sdf 1154 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N[C@@H]1CC[C@@H](C(NCCCCCNC(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)=O)CC1)C5=CN=C(N6C=CC7=CC(C#N)=CN=C76)C=C5NC(C)C CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentylcarbamoyl]cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide Degrader-4 O=C(C1=CN=C(C=C1NC(C)C)N2C=CC3=CC(C#N)=CN=C32)N[C@@H]4CC[C@H](CC4)C(N[R1])=O CCCCCNC(CO)=O O=C(NCCCCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2NC(C)C)N3C4=NC=C(C=C4C=C3)C#N CCCCCNC(=O)CO [R1]CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 293 293.0 1 linker/linker_997.sdf warhead/warhead_1172.sdf e3_ligand/e3_ligand_16.sdf 1155 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N[C@@H]1CC[C@@H](C(NCCOCCNC(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)=O)CC1)C5=CN=C(N6C=CC7=CC(C#N)=CN=C76)C=C5NC(C)C CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethylcarbamoyl]cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide Degrader-5 O=C(C1=CN=C(C=C1NC(C)C)N2C=CC3=CC(C#N)=CN=C32)N[C@@H]4CC[C@H](CC4)C(N[R1])=O CCOCCNC(CO)=O O=C(NCCOCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2NC(C)C)N3C4=NC=C(C=C4C=C3)C#N CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 405 405.0 1 linker/linker_1175.sdf warhead/warhead_1172.sdf e3_ligand/e3_ligand_16.sdf 1156 Q9NWZ3 Interleukin-1 Receptor-Associated Kinase 4 IRAK4 O=C(N[C@@H]1CC[C@@H](C(NCCOCCOCCNC(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)=O)CC1)C5=CN=C(N6C=CC7=CC(C#N)=CN=C76)C=C5NC(C)C CC(C)NC1=CC(N2C=CC3=CC(C#N)=CN=C32)=NC=C1C(=O)N[C@H]1CC[C@H](C(=O)NCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide Degrader-6 O=C(C1=CN=C(C=C1NC(C)C)N2C=CC3=CC(C#N)=CN=C32)N[C@@H]4CC[C@H](CC4)C(N[R1])=O CCOCCOCCNC(CO)=O O=C(NCCOCCOCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)C2=CN=C(C=C2NC(C)C)N3C4=NC=C(C=C4C=C3)C#N CCOCCOCCNC(=O)CO [R1]CCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7420 7420.0 0 linker/linker_1176.sdf warhead/warhead_1172.sdf e3_ligand/e3_ligand_16.sdf 1157 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NNCCC)C1=CC=C(C=C1)C2=CC=C(C=C2)NC(CCCCCCC(N[C@H](C(N3C[C@@H](C[C@H]3C(N[C@@H](C)C4=CC=C(C=C4)C5=C(N=CS5)C)=O)O)=O)C(C)(C)C)=O)=O CCCNNC(=O)C1=CC=C(C2=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)C=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[4-(propylaminocarbamoyl)phenyl]phenyl]octanediamide 8c XZ9002 O=C(C1=CC=C(C2=CC=C([R1])C=C2)C=C1)NNCCC NC(CCCCCC)=O O=C(CCCCCC[R2])N[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NNCCC CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 42 2570/3690/6140 42.0 4133.333333333333 1 linker/linker_1177.sdf warhead/warhead_1177.sdf e3_ligand/e3_ligand_23.sdf 1158 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(N(C1CCCC1)C2=N3)C(C(C)=O)=C(C)C2=CN=C3NC(C=C4)=NC=C4N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 22 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 97.1/95.9 96.5 1 linker/linker_13.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_27.sdf 1159 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCN(CC5)CCOCCOCCOC6=C(C=CC(C7=C(N=CS7)C)=C6)CNC([C@@H]8C[C@H](CN8C([C@H](C(C)(C)C)NC(C9(CC9)F)=O)=O)O)=O)=NC=C3C(C)=C1C(C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(F)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-N-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 34 CST651 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 20 450 20.0 450.0 1 linker/linker_1.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_1.sdf 1160 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCN(CC5)CCOCCOCCOC6=C(C=CC(C7=C(N=CS7)C)=C6)CNC([C@@H]8C[C@H](CN8C([C@H](C(C)(C)C)NC(C9(CC9)F)=O)=O)O)=O)=NC=C3C(C)=C1C(C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOCCOCCOC5=CC(C6=C(C)N=CS6)=CC=C5CNC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@@H](NC(=O)C5(F)CC5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-N-[[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 34 CST651 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 5.1 450 5.1 450.0 1 linker/linker_1.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_1.sdf 1161 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCN(CC5)CCOCCOCCOCCOC6=CC(O[C@H]7C[C@@H](C(N[C@@H]8CCCC9=CC=CC=C89)=O)N(C([C@@H](NC([C@@H](NC)C)=O)C%10CCCCC%10)=O)C7)=CC=C6)=NC=C3C(C)=C1C(C)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCN3CCN(C4=CC=C(NC5=NC=C6C(C)=C(C(C)=O)C(=O)N(C7CCCC7)C6=N5)N=C4)CC3)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-4-[3-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 35 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 XIAP P98170 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 25/82 53.5 0 linker/linker_204.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_714.sdf 1162 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCN(CC5)CCOCCOCCOCCNC(C6=CC(OC)=C(NC([C@H]7[C@H](C8=C(F)C(Cl)=CC=C8)[C@@](C#N)(C9=C(F)C=C(Cl)C=C9)[C@H](CC(C)(C)C)N7)=O)C=C6)=O)=NC=C3C(C)=C1C(C)=O COC1=CC(C(=O)NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F (2R,3S,4R,5S)-N-[4-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide 37 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCN [R1]CCOCCOCCOCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC MDM2 Q00987 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCN [R1]CCOCCOCCOCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC 0/0 0.0 0 linker/linker_1182.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_201.sdf 1163 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCN(CC5)CCOCCOCCOCCNC(C6=CC(OC)=C(NC([C@H]7[C@H](C8=C(F)C(Cl)=CC=C8)[C@@](C#N)(C9=C(F)C=C(Cl)C=C9)[C@H](CC(C)(C)C)N7)=O)C=C6)=O)=NC=C3C(C)=C1C(C)=O COC1=CC(C(=O)NCCOCCOCCOCCN2CCN(C3=CC=C(NC4=NC=C5C(C)=C(C(C)=O)C(=O)N(C6CCCC6)C5=N4)N=C3)CC2)=CC=C1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(C2=CC=C(Cl)C=C2F)[C@H]1C1=CC=CC(Cl)=C1F (2R,3S,4R,5S)-N-[4-[2-[2-[2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-methoxyphenyl]-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide 37 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCN [R1]CCOCCOCCOCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC MDM2 Q00987 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOCCOCCOCCN [R1]CCOCCOCCOCCN[R2] [R2]C(=O)C1=CC(=C(C=C1)NC(=O)[C@H]2[C@@H]([C@@]([C@@H](N2)CC(C)(C)C)(C#N)C3=C(C=C(C=C3)Cl)F)C4=C(C(=CC=C4)Cl)F)OC 0/0 0.0 0 linker/linker_1182.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_201.sdf 1164 O14965 Aurora kinase A AURKA ARK1 AIK O=C(NCCOCCOCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(NC5=NC=C6C(C7=CC=C(Cl)C=C7C(C8=C(OC)C=CC=C8F)=NC6)=N5)C=C4OC COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethyl]-2-methoxybenzamide JB170 JB170 COC1=C(C2=NCC3=CN=C(NC4=CC(OC)=C(C([R1])=O)C=C4)N=C3C5=C2C=C(Cl)C=C5)C(F)=CC=C1 NCCOCCOCCNC(CO)=O O=C(NCCOCCOCCN[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C=C(C=C1)NC2=NC=C3CN=C(C4=C(C3=N2)C=CC(=C4)Cl)C5=C(C=CC=C5F)OC)OC NCCOCCOCCNC(=O)CO [R1]NCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28 28.0 1 linker/linker_1184.sdf warhead/warhead_1184.sdf e3_ligand/e3_ligand_16.sdf 1165 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 5 Pmd-PEG6-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90 90.0 1 linker/linker_1185.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 1166 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 6 Pmd-PEG8-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCCOCCOCCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45 45.0 1 linker/linker_1186.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 1167 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C(NCCCOCCOCCOCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCC(N4CCC(N(C5=CC=C(N(C6=C(F)C=CC(NS(=O)(CCC)=O)=C6F)C=C7C8=CN=CN=C8)C7=N5)C)CC4)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCC(=O)NCCCOCCOCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F 4-[4-[[1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]-N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]-4-oxobutanamide 7 Pmd-1C-PEG3-1C-2C-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F O=C(NCCCOCCOCCOCCC)CCC=O O=C(NCCCOCCOCCOCCC[R2])CCC([R1])=O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCCOCCOCCOCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_1187.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 1168 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=S(C1=C(F)C=CC=C1F)(NC2=CC=CC(C3=C(C4=NC(N)=NC=C4)SC(C5CCN(C(CCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)=N3)=C2F)=O NC1=NC=CC(C2=C(C3=CC=CC(NS(=O)(=O)C4=C(F)C=CC=C4F)=C3F)N=C(C3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)S2)=N1 N-[3-[5-(2-aminopyrimidin-4-yl)-2-[1-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide 19 Pmd-PEG3-Dab#2 [R1]C1=NC(C2=C(F)C(NS(=O)(C3=C(F)C=CC=C3F)=O)=CC=C2)=C(C4=NC(N)=NC=C4)S1 O=C(N1CCCCC1)CCOCCOCCOCC O=C(N1CCC([R1])CC1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F CCOCCOCCOCCC(=O)N1CCCCC1 [R1]C1CCN(CC1)C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_1188.sdf warhead/warhead_1188.sdf e3_ligand/e3_ligand_7.sdf 1169 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C(NCCCOCCCCOCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCC(N(C5=CC=C(N(C6=C(F)C=CC(NS(=O)(CCC)=O)=C6F)C=C7C8=CN=CN=C8)C7=N5)C)CC4 CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(CC(=O)NCCCOCCCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F 2-[4-[[1-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]-N-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]butoxy]propyl]acetamide 25 Pmd-DODA-C1-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CC(NCCCOCCCCOCCC)=O O=C(NCCCOCCCCOCCC[R2])C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCCOCCCCOCCCNC(C)=O [R1]CC(=O)NCCCOCCCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25 25.0 1 linker/linker_1189.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 1170 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCN6N=NC(COCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=C6)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCN5C=C(COCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 26 Pmd-PEG1-Trz-PEG2-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F O=CCCOCCOCCN1N=NC(COCC)=C1 O=C([R1])CCOCCOCCN1N=NC(COCC[R2])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F CCOCC1=CN(CCOCCOCCC=O)N=N1 [R1]C(=O)CCOCCOCCN1C=C(N=N1)COCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 80 80.0 1 linker/linker_1190.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_7.sdf 1171 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CCCS(=O)(NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C4=NC(N(C5CCN(C(CCOCCOCCOCCOCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)CC5)C)=CC=C42)=C1F)=O CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=CN=CN=C3)C3=NC(N(C)C4CCN(C(=O)CCOCCOCCOCCOCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C32)=C1F N-[3-[5-[[1-[3-[2-[2-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide 27 Len(C)PEG4-BI [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F C#CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N(C)C2=NC3=C(C=C2)N(C=C3C4=CN=CN=C4)C5=C(C=CC(=C5F)NS(=O)(=O)CCC)F C#CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_1191.sdf warhead/warhead_730.sdf e3_ligand/e3_ligand_18.sdf 1172 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C(C=C2)=CC=C2OC(C=CC(F)=C3)=C3F)=NN1[C@H]4CN(C(OCC5=NC=C(COC6=CC7=C(C=C6)C[C@@H](C(N[C@@H]8CCCC9=CC=CC=C89)=O)N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)C7)N=C5)=O)CCC4)C(N)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCC3=CN=C(COC(=O)N4CCC[C@@H](N5N=C(C6=CC=C(OC7=CC=C(F)C=C7F)C=C6)C(C(N)=O)=C5N)C4)C=N3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C [5-[[(3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]pyrazin-2-yl]methyl (3R)-3-[5-amino-4-carbamoyl-3-[4-(2,4-difluorophenoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate BCPyr BCPyr [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N OCC1=NC=C(CO)N=C1 [R1]OCC1=NC=C(CO[R2])N=C1 [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 cIAP1 Q13490 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N OCC1=CN=C(CO)C=N1 [R1]OCC1=CN=C(C=N1)CO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 800 800.0 1 linker/linker_1192.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_210.sdf 1173 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C(C=C2)=CC=C2OC(C=CC(F)=C3)=C3F)=NN1[C@H]4CN(C(CCCN5CCC([C@H](NC([C@@H](NC)C)=O)C(N6CCC[C@H]6C7=NC(C(C8=CC=C(F)C=C8)=O)=CS7)=O)CC5)=O)CCC4)C(N)=O CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(CCCC(=O)N2CCC[C@@H](N3N=C(C4=CC=C(OC5=CC=C(F)C=C5F)C=C4)C(C(N)=O)=C3N)C2)CC1 5-amino-3-[4-(2,4-difluorophenoxy)phenyl]-1-[(3R)-1-[4-[4-[(1S)-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxoethyl]piperidin-1-yl]butanoyl]piperidin-3-yl]pyrazole-4-carboxamide BCPip BCPip [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCC [R1]CCC[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]C(=O)N1CCC[C@H](C1)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N CCC [R1]CCC[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 4700 4700.0 0 linker/linker_10.sdf warhead/warhead_203.sdf e3_ligand/e3_ligand_698.sdf 1174 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 160/4/9 57.66666666666666 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1175 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22/8 15.0 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1176 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38/53/11 34.0 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1177 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43/33/29 35.0 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1178 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 56/13/18 29.0 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1179 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(NCCOCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)=O CC1=C(C(=O)N2N=C(NC3=CC=C(S(=O)(=O)NCCOCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)C=C3)N=C2N)SC=C1 4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethyl]benzenesulfonamide 5 CPS2 O=C(N1C(N)=NC(NC2=CC=C(S(=O)(N[R1])=O)C=C2)=N1)C3=C(C)C=CS3 CCOCC1=CN(CCOCCOCC)N=N1 [R1]CCOCC1=CN(CCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NS(=O)(=O)C1=CC=C(C=C1)NC2=NN(C(=N2)N)C(=O)C3=C(C=CS3)C CCOCCOCCN1C=C(COCC)N=N1 [R1]CCOCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 61/12/1 24.666666666666668 1 linker/linker_695.sdf warhead/warhead_1194.sdf e3_ligand/e3_ligand_7.sdf 1180 P15056 Serine/threonine-protein kinase B-raf G466V BRAF G466V O=C([C@H]1N(C([C@@H](NC(CN2CCN(C3=CC=C(C4=CN=C(NC=C5C(C6=C(F)C=CC(NS(=O)(CCC)=O)=C6F)=O)C5=C4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F (2S,4R)-1-[(2S)-2-[[2-[4-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide SJF-0628 SJF-0628 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(C[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29/23 26.0 1 linker/linker_1200.sdf warhead/warhead_729.sdf e3_ligand/e3_ligand_27.sdf 1181 P15056 Serine/threonine-protein kinase B-raf G469A BRAF G469A O=C([C@H]1N(C([C@@H](NC(CN2CCN(C3=CC=C(C4=CN=C(NC=C5C(C6=C(F)C=CC(NS(=O)(CCC)=O)=C6F)=O)C5=C4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F (2S,4R)-1-[(2S)-2-[[2-[4-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide SJF-0628 SJF-0628 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(C[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15 15.0 1 linker/linker_1200.sdf warhead/warhead_729.sdf e3_ligand/e3_ligand_27.sdf 1182 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C([C@H]1N(C([C@@H](NC(CN2CCN(C3=CC=C(C4=CN=C(NC=C5C(C6=C(F)C=CC(NS(=O)(CCC)=O)=C6F)=O)C5=C4)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CCCS(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)C=C23)=C1F (2S,4R)-1-[(2S)-2-[[2-[4-[4-[3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide SJF-0628 SJF-0628 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(C[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)CCC)F)N=C2 CN1CCNCC1 [R1]N1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6.8 6.8 1 linker/linker_1200.sdf warhead/warhead_729.sdf e3_ligand/e3_ligand_27.sdf 1183 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCCN(CCCC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O)C)CNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CN(CCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CCCC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1 N-[3-[[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutyl]-methylamino]propyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide RNC-1 RNC-1 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC(NCCCN(CCC)C)=O O=C(NCCCN(CCC[R1])C)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCN(C)CCCNC(C)=O [R1]CCCN(C)CCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4134/1017 2575.5 0 linker/linker_1212.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_7.sdf 1184 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCN(CCCC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O)C)CNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CN(CCCC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C(N)N=CN=C32)C1)CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutyl]-methylamino]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide RNC-3 RNC-3 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC(NCCOCCN(CCC)C)=O O=C(NCCOCCN(CCC[R1])C)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCN(C)CCOCCNC(C)=O [R1]CCCN(C)CCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9279 9279.0 0 linker/linker_1214.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_7.sdf 1185 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NCCCCCCCCCCC(NC1=CC=CC2=C1CN(C3CCC(NC3=O)=O)C2=O)=O)C4=C(F)C=CC(CC5=NNC(C6=CC=CC=C65)=O)=C4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCCNC(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)C=CC=C3C2=O)C(=O)N1 N-[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-11-oxoundecyl]-2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide 2 O=C([R1])C1=C(F)C=CC(CC2=NNC(C3=CC=CC=C32)=O)=C1 O=CCCCCCCCCCCN O=C([R2])CCCCCCCCCCN[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F NCCCCCCCCCCC=O [R1]NCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 5400 2900 5400.0 2900.0 0 linker/linker_1215.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_17.sdf 1186 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NCCCCCCCCCCCC(NC1=CC=CC2=C1CN(C3CCC(NC3=O)=O)C2=O)=O)C4=C(F)C=CC(CC5=NNC(C6=CC=CC=C65)=O)=C4 O=C1CCC(N2CC3=C(NC(=O)CCCCCCCCCCCNC(=O)C4=CC(CC5=N[NH]C(=O)C6=CC=CC=C56)=CC=C4F)C=CC=C3C2=O)C(=O)N1 N-[12-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-12-oxododecyl]-2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide 3 O=C([R1])C1=C(F)C=CC(CC2=NNC(C3=CC=CC=C32)=O)=C1 O=CCCCCCCCCCCCN O=C([R2])CCCCCCCCCCCN[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F NCCCCCCCCCCCC=O [R1]NCCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 6200 6200.0 0 linker/linker_455.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_17.sdf 1187 P10275 Androgen receptor AR DHTR NR3C4 O=C(CCCCNC(COC1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2)=O)N[C@H](C(N4C[C@@H](C[C@H]4C(N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide MTX-23 MTX-23 [R1]C1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2 OCC(NCCCC)=O O=C(CO[R1])NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=C(C=CC(=C1F)F)C2=CSC(=N2)N3CCOCC3 CCCCNC(=O)CO [R1]OCC(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2000 2000.0 0 linker/linker_62.sdf warhead/warhead_1217.sdf e3_ligand/e3_ligand_23.sdf 1188 P10275 Androgen receptor V7 AR-V7 O=C(CCCCNC(COC1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2)=O)N[C@H](C(N4C[C@@H](C[C@H]4C(N[C@@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide MTX-23 MTX-23 [R1]C1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2 OCC(NCCCC)=O O=C(CO[R1])NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=C(C=CC(=C1F)F)C2=CSC(=N2)N3CCOCC3 CCCCNC(=O)CO [R1]OCC(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 370 370.0 1 linker/linker_62.sdf warhead/warhead_1217.sdf e3_ligand/e3_ligand_23.sdf 1189 Q05397 Focal adhesion kinase FAK PTK2 FAK1 COC1=C(C=CC(N2CCN(CC2)CCCCCCNC(COC3=C4C(C(N(C5CCC(NC5=O)=O)C4=O)=O)=CC=C3)=O)=C1)NC6=NC=C(C(F)(F)F)C(NC7=CC=CC=C7C(NC)=O)=C6 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F 2-[[2-[4-[4-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide 1 CNC(C1=CC=CC=C1NC2=CC(NC3=C(OC)C=C(N4CCN([R1])CC4)C=C3)=NC=C2C(F)(F)F)=O CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >85/>85 85.0 1 linker/linker_577.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_16.sdf 1190 Q05397 Focal adhesion kinase FAK PTK2 FAK1 COC1=C(NC2=NC=C(C(NC3=CC=CC=C3C(NC)=O)=C2)C(F)(F)F)C=CC(N4CCN(CCOCCOCCNC(CNC5=C6C(C(N(C6=O)C7CCC(NC7=O)=O)=O)=CC=C5)=O)CC4)=C1 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F 2-[[2-[4-[4-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide 4 CNC(C1=CC=CC=C1NC2=CC(NC3=C(OC)C=C(N4CCN([R1])CC4)C=C3)=NC=C2C(F)(F)F)=O CC(NCCOCCOCC)=O O=C(C[R2])NCCOCCOCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 70-84/>85 85.0 1 linker/linker_337.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_7.sdf 1191 Q05397 Focal adhesion kinase FAK PTK2 FAK1 COC1=C(NC2=NC=C(C(NC3=CC=CC=C3C(NC)=O)=C2)C(F)(F)F)C=CC(N4CCN(CCCCCCCCNC(CNC5=C6C(C(N(C6=O)C7CCC(NC7=O)=O)=O)=CC=C5)=O)CC4)=C1 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F 2-[[2-[4-[4-[8-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide 5 CNC(C1=CC=CC=C1NC2=CC(NC3=C(OC)C=C(N4CCN([R1])CC4)C=C3)=NC=C2C(F)(F)F)=O CC(NCCCCCCCC)=O O=C(C[R2])NCCCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCCCCCCCNC(C)=O [R1]CCCCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >85/>85 85.0 1 linker/linker_1221.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_7.sdf 1192 Q05397 Focal adhesion kinase FAK PTK2 FAK1 COC1=C(NC2=NC=C(C(NC3=CC=CC=C3C(NC)=O)=C2)C(F)(F)F)C=CC(N4CCN(CCCCCCCCNC5=C6C(C(N(C6=O)C7CCC(NC7=O)=O)=O)=CC=C5)CC4)=C1 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1C(F)(F)F 2-[[2-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide 6 CNC(C1=CC=CC=C1NC2=CC(NC3=C(OC)C=C(N4CCN([R1])CC4)C=C3)=NC=C2C(F)(F)F)=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >85/>85 85.0 1 linker/linker_33.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_7.sdf 1193 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CS(=O)(C1=CC=CC(CNC2=NC(NC3=CC=C(C(NCCCCCCCCNC(COC4=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=CC=C4)=O)=O)C=C3)=NC=C2C(F)(F)F)=C1)=O CS(=O)(=O)C1=CC=CC(CNC2=NC(NC3=CC=C(C(=O)NCCCCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=NC=C2C(F)(F)F)=C1 N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide 7 CS(=O)(C1=CC=CC(CNC2=NC(NC3=CC=C(C(N[R1])=O)C=C3)=NC=C2C(F)(F)F)=C1)=O CCCCCCCCNC(CO)=O O=C(CO[R2])NCCCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC(=CC=C3)S(=O)(=O)C)C(F)(F)F CCCCCCCCNC(=O)CO [R1]CCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25-49/>85 85.0 1 linker/linker_1223.sdf warhead/warhead_1223.sdf e3_ligand/e3_ligand_16.sdf 1194 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CC1=CC(NC2=NC=C(C(F)(F)F)C(NC3=CC=CC=C3C(NC)=O)=C2)=C(OC(C)C)C=C1C4CCN(CCCCCCNC(COC5=C6C(C(N(C6=O)C7CCC(NC7=O)=O)=O)=CC=C5)=O)CC4 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC(C)=C(C3CCN(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC(C)C)=NC=C1C(F)(F)F 2-[[2-[4-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]piperidin-4-yl]-5-methyl-2-propan-2-yloxyanilino]-5-(trifluoromethyl)pyridin-4-yl]amino]-N-methylbenzamide 9 CC1=CC(NC2=NC=C(C(F)(F)F)C(NC3=CC=CC=C3C(NC)=O)=C2)=C(OC(C)C)C=C1C4CCN([R1])CC4 CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC(C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >85/>85 85.0 1 linker/linker_577.sdf warhead/warhead_1224.sdf e3_ligand/e3_ligand_16.sdf 1195 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(CCN5CCN(C6=CC7=C(C(N(C8CCC(NC8=O)=O)C7)=O)C=C6)CC5)CC4)N=C3)NC9=CC=CC=C29 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)CC3)N=C2)N1CC(C)(C)F 3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 2 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CCN2CCNCC2)CCNCC1 [R1]N1CCC(CCN2CCN([R2])CC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CCN2CCNCC2)CCN1 [R1]N1CCC(CC1)CCN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_1225.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1196 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(OCCN5CCN(C6=CC7=C(C(N(C8CCC(NC8=O)=O)C7)=O)C=C6)CC5)CC4)N=C3)NC9=CC=CC=C29 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(OCCN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)CC3)N=C2)N1CC(C)(C)F 3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]oxyethyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 4 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(OCCN2CCNCC2)CCNCC1 [R1]N1CCC(OCCN2CCN([R2])CC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(OCCN2CCNCC2)CCN1 [R1]N1CCC(CC1)OCCN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_1226.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1197 P03372 Estrogen receptor ER ESR1 NR3A1 O=C(N(C1CCC(NC1=O)=O)C2)C3=C2C=C(N(CC4)CCN4CCCCCOC5=CC(F)=C([C@@H]6C7=C(C8=CC=CC=C8N7)C[C@@H](C)N6CC(C)(F)C)C(F)=C5)C=C3 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(OCCCCCN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C=C2F)N1CC(C)(C)F 3-[6-[4-[5-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenoxy]pentyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 5 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F OCCCCCN1CCNCC1 [R1]OCCCCCN1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F OCCCCCN1CCNCC1 [R1]OCCCCCN1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.6 0.6 1 linker/linker_1227.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_21.sdf 1198 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(CN5CCN(CC6CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)CC5)CC4)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CN4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)CC3)N=C2)N1CC(C)(C)F 3-[6-[4-[[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 6 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CN2CCN(CC3CCNCC3)CC2)CCNCC1 [R1]N1CCC(CN2CCN(CC3CCN([R2])CC3)CC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CN2CCN(CC3CCNCC3)CC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.6 0.6 1 linker/linker_1228.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1199 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC5(CCN(CCC6CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)CC5)CC4)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC4(CCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)CC3)N=C2)N1CC(C)(C)F 3-[6-[4-[2-[3-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 10 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C N(CC1)(CCC2CCNCC2)CCC31CCNCC3 [R1]N1CCC2(CCN(CCC3CCN([R2])CC3)CC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CCN2CCC3(CCNCC3)CC2)CCN1 [R1]N1CCC2(CC1)CCN(CC2)CCC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.8 0.8 1 linker/linker_1229.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1200 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N(CC4)CCC4CCN(CC5)CCC65CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F 3-[6-[9-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 11 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C N(CC1)(CCC2CCNCC2)CCC31CCNCC3 [R1]N(CC1)CCC1CCN(CC2)CCC32CCN([R2])CC3 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CCN2CCC3(CCNCC3)CC2)CCN1 [R1]N1CCC(CC1)CCN2CCC3(CCN(CC3)[R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1229.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1201 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N(CC4)CCC4CCN5CCN(C(C=C6C7)=CC(OC)=C6C(N7C(CCC8=O)C(N8)=O)=O)CC5)N=C3)NC9=CC=CC=C29 COC1=CC(N2CCN(CCC3CCN(C4=NC=C([C@@H]5C6=C(C[C@@H](C)N5CC(C)(C)F)C5=CC=CC=C5[NH]6)C=N4)CC3)CC2)=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2 3-[6-[4-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 12 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CCN2CCNCC2)CCNCC1 [R1]N1CCC(CCN2CCN([R2])CC2)CC1 O=C(C(CC1)N2C(C3=C(OC)C=C([R2])C=C3C2)=O)NC1=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CCN2CCNCC2)CCN1 [R1]N1CCC(CC1)CCN2CCN(CC2)[R2] [R2]C1=CC2=C(C(=C1)OC)C(=O)N(C2)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1225.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_1202.sdf 1202 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(CN5CCC6(CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)OCC5)CC4)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CN4CCOC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F 3-[6-[10-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]-7-oxa-3,10-diazaspiro[5.6]dodecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 19 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CN2CCC3(CCNCC3)OCC2)CCNCC1 [R1]N1CCC(CN2CCC3(CCN([R2])CC3)OCC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CN2CCOC3(CCNCC3)CC2)CCN1 [R1]N1CCC(CC1)CN2CCC3(CCN(CC3)[R2])OCC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1232.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1203 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(CCN5CCC6(CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)OCC5)CC4)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC(CCN4CCOC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C4)CC5)CC3)N=C2)N1CC(C)(C)F 3-[6-[10-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-7-oxa-3,10-diazaspiro[5.6]dodecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 20 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CCN2CCC3(CCNCC3)OCC2)CCNCC1 [R1]N1CCC(CCN2CCC3(CCN([R2])CC3)OCC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CCN2CCOC3(CCNCC3)CC2)CCN1 [R1]N1CCC(CC1)CCN2CCC3(CCN(CC3)[R2])OCC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_1233.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1204 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC5(CC(CN6CC7(CCN(C8=CC9=C(C(N(C%10CCC(NC%10=O)=O)C9)=O)C=C8)CC7)C6)C5)CC4)N=C3)NC%11=CC=CC=C2%11 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(N3CCC4(CC3)CC(CN3CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C3)C4)N=C2)N1CC(C)(C)F 3-[6-[2-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 28 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C(C1)(CN2CC3(CCNCC3)C2)CC41CCNCC4 [R1]N1CCC2(CC(CN3CC4(CCN([R2])CC4)C3)C2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC2(CCN1)CC(CN1CC3(CCNCC3)C1)C2 [R1]N1CCC2(CC1)CC(C2)CN3CC4(C3)CCN(CC4)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1234.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1205 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(N4CCC(CN5CCN(C(C=C6C7)=CC(OC)=C6C(N7C(CCC8=O)C(N8)=O)=O)CC5)CC4)N=C3)NC9=CC=CC=C29 COC1=CC(N2CCN(CC3CCN(C4=NC=C([C@@H]5C6=C(C[C@@H](C)N5CC(C)(C)F)C5=CC=CC=C5[NH]6)C=N4)CC3)CC2)=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2 3-[6-[4-[[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]methyl]piperazin-1-yl]-4-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 39 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CN2CCN([R2])CC2)CC1 O=C(C(CC1)N2C(C3=C(OC)C=C([R2])C=C3C2)=O)NC1=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C(=C1)OC)C(=O)N(C2)C3CCC(=O)NC3=O 0.7 0.7 1 linker/linker_1235.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_1202.sdf 1206 P03372 Estrogen receptor ER ESR1 NR3A1 C[C@@H]1CC2=C([C@H](N1CC(F)(C)C)C3=CN=C(OC(CC4)CCC54CCN(CC6CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8)=O)C=C7)CC6)CC5)N=C3)NC%10=CC=CC=C2%10 C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=CN=C(OC3CCC4(CC3)CCN(CC3CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC3)CC4)N=C2)N1CC(C)(C)F 3-[6-[4-[[9-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]oxy-3-azaspiro[5.5]undecan-3-yl]methyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 41 C[C@@H]1CC2=C(NC3=CC=CC=C23)[C@@H](C4=CN=C([R1])N=C4)N1CC(C)(F)C OC(CC1)CCC21CCN(CC3CCNCC3)CC2 [R1]OC(CC1)CCC21CCN(CC3CCN([R2])CC3)CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3 OC1CCC2(CC1)CCN(CC1CCNCC1)CC2 [R1]OC1CCC2(CC1)CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1236.sdf warhead/warhead_1225.sdf e3_ligand/e3_ligand_21.sdf 1207 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N(CC3)CCN3CCOC4=CC=C(CCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)C=C4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(OCCN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-10 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(CC)C=C1 [R1]CCOC1=CC=C(CC[R2])C=C1 [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(CC)C=C1 [R1]CCOC1=CC=C(C=C1)CC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 41 41.0 1 linker/linker_1237.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1208 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=NN=C(C2=CC=CC=C2O)C=C1N(CC3)CCN3CCOC4=CC=C(CCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)C=C4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(OCCN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-10 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(CC)C=C1 [R1]CCOC1=CC=C(CC[R2])C=C1 [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOC1=CC=C(CC)C=C1 [R1]CCOC1=CC=C(C=C1)CC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 26 26.0 1 linker/linker_1237.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1209 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=CC=C4OCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-11 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CC(C=C1)=CC=C1OCCC [R1]CC(C=C1)=CC=C1OCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCOC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)OCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 26 26.0 1 linker/linker_1239.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1210 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=CC=C4OCCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenoxy]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-11 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CC(C=C1)=CC=C1OCCC [R1]CC(C=C1)=CC=C1OCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCOC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)OCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 16 16.0 1 linker/linker_1239.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1211 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=CC=C4CCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-14 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1=CC=C(C)C=C1 [R1]CC(C=C1)=CC=C1CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 58 58.0 1 linker/linker_1241.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1212 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=CC=C4CCCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-14 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1=CC=C(C)C=C1 [R1]CC(C=C1)=CC=C1CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 25 25.0 1 linker/linker_1241.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1213 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=C(F)C=C4CCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C(F)=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-3-fluorophenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-16 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC(F)=C(C)C=C1 FC1=C(C[R1])C=CC(CC[R2])=C1 [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC=C(C)C(F)=C1 [R1]CC1=C(C=C(C=C1)CC[R2])F [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 55 55.0 1 linker/linker_1243.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1214 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(C=C4)=C(F)C=C4CCOC5=C(CNC([C@@H]6C[C@@H](O)CN6C([C@@H](NC(C7(F)CC7)=O)C(C)(C)C)=O)=O)C=CC(C8=C(C)N=CS8)=C5)CC3 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCC3=CC=C(CN4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)C(F)=C3)=C2)SC=N1 (2S,4R)-N-[[2-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]-3-fluorophenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide I-16 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC(F)=C(C)C=C1 FC1=C(C[R1])C=CC(CC[R2])=C1 [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC=C(C)C(F)=C1 [R1]CC1=C(C=C(C=C1)CC[R2])F [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 33 33.0 1 linker/linker_1243.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_1.sdf 1215 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C4 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 O=CCCOCCOCC O=C([R1])CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.5 2.5 1 linker/linker_917.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1216 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCOCCOCCOCCOCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C5 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.1 3.1 1 linker/linker_732.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1217 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C6 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.1 4.1 1 linker/linker_521.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1218 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCC(N(CC4)CCN4C(CC5)CCN5C6=CC(C7(C)C)=C(C=C6CC)C(C8=C7NC9=C8C=CC(C#N)=C9)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile 25 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 107/107 77.3/96.9 87.1 107.0 1 linker/linker_521.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1219 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C([C@H]1N(C([C@@H](NC(CCCCC(N2CCN(C3CCN(C4=C(CC)C=C5C(C(C)(C)C(NC6=C7C=CC(C#N)=C6)=C7C5=O)=C4)CC3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 (2S,4R)-1-[(2S)-2-[[6-[4-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide C7 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCC=O O=C([R1])CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32.5 32.5 1 linker/linker_443.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_27.sdf 1220 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCC(N2CCN(C3CCN(C4=C(CC)C=C5C(C(C)(C)C(NC6=C7C=CC(C#N)=C6)=C7C5=O)=C4)CC3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 (2S,4R)-1-[(2S)-2-[[10-[4-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide C8 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCCCCC=O O=C([R1])CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18 18.0 1 linker/linker_419.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_27.sdf 1221 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCN(C(CCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C9 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCN([R1])CC5 O=CCCOCCOCC O=C([R1])CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.8 30.8 1 linker/linker_917.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1222 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCN(C(CCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCN(C(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C10 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCN([R1])CC5 CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11.9 11.9 1 linker/linker_732.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1223 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1CCN(C2=C(CC)C=C3C(C(C)(C)C(NC4=C5C=CC(C#N)=C4)=C5C3=O)=C2)CC1)CCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CCC1=CC2=C(C=C1N1CCC(NC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 N-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanamide C11 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC([R1])CC5 O=C(N)CCOCCOCC O=C(N[R1])CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCOCCOCCC(N)=O [R1]NC(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12 12.0 1 linker/linker_1253.sdf warhead/warhead_1253.sdf e3_ligand/e3_ligand_7.sdf 1224 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1CCN(C2=C(CC)C=C3C(C(C)(C)C(NC4=C5C=CC(C#N)=C4)=C5C3=O)=C2)CC1)CCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CCC1=CC2=C(C=C1N1CCC(NC(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 N-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide C12 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC([R1])CC5 CCOCCOCCOCCOCCC(N)=O O=C(N[R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCOCCOCCOCCOCCC(N)=O [R1]NC(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.9 5.9 1 linker/linker_1254.sdf warhead/warhead_1253.sdf e3_ligand/e3_ligand_7.sdf 1225 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCC(N(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile 17 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 27.4/116.5 62/42 71.95 52.0 1 linker/linker_521.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1226 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C3=C(N2)C(C)(C4=CC(N5CCN(CC5)C(CNC6=CC=CC(C(N7C(C(N8)=O)CCC8=O)=O)=C6C7=O)=O)=C(C=C4C3=O)CC)C)C=C1 CCC1=CC2=C(C=C1N1CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C13 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCN([R1])CC5 CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.2 3.2 1 linker/linker_521.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1227 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCN(C(CCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCN(C(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C14 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCN([R1])CC5 CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.2 9.2 1 linker/linker_232.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1228 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCC(N(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(C(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile 18 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 92/66 77.4/85.9 81.65 79.0 1 linker/linker_232.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1229 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCN(C(CCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCN(C(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C15 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCN([R1])CC5 CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15.1 15.1 1 linker/linker_255.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1230 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCCCC(N(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(C(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile 19 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 269/245 55.1/71.6 63.35 257.0 0 linker/linker_255.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1231 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1CCN(C2=C(CC)C=C3C(C(C)(C)C(NC4=C5C=CC(C#N)=C4)=C5C3=O)=C2)CC1)CNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CCC1=CC2=C(C=C1N1CCC(NC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 N-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide C16 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC([R1])CC5 CC(N)=O O=C(N[R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CC(N)=O [R1]NC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13.5 13.5 1 linker/linker_1261.sdf warhead/warhead_1253.sdf e3_ligand/e3_ligand_7.sdf 1232 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1CCN(C2=C(CC)C=C3C(C(C)(C)C(NC4=C5C=CC(C#N)=C4)=C5C3=O)=C2)CC1)CCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CCC1=CC2=C(C=C1N1CCC(NC(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 N-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanamide C17 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC([R1])CC5 CCCC(N)=O O=C(N[R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCC(N)=O [R1]NC(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.2 8.2 1 linker/linker_1262.sdf warhead/warhead_1253.sdf e3_ligand/e3_ligand_7.sdf 1233 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(NC1CCN(C2=C(CC)C=C3C(C(C)(C)C(NC4=C5C=CC(C#N)=C4)=C5C3=O)=C2)CC1)CCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CCC1=CC2=C(C=C1N1CCC(NC(=O)CCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 N-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanamide C18 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC([R1])CC5 CCCCCC(N)=O O=C(N[R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCC(N)=O [R1]NC(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_1263.sdf warhead/warhead_1253.sdf e3_ligand/e3_ligand_7.sdf 1234 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C19 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.9 12.9 1 linker/linker_232.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1235 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCCCNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C20 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.4 3.4 1 linker/linker_255.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1236 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C21 SIAIS091 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 6.1 0.5 6.1 0.5 1 linker/linker_521.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1237 Q9UM73 Anaplastic lymphoma kinase G1202R ALK G1202R N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C21 SIAIS091 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_521.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1238 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C22 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3.3 3.3 1 linker/linker_232.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1239 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCCNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C23 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4.7 4.7 1 linker/linker_443.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1240 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCCCNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C24 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4 4.0 1 linker/linker_255.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1241 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(C(CCCCCCNC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanoyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C25 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 9.2 9.2 1 linker/linker_256.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_17.sdf 1242 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C26 SIAIS001 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCC#C [R2]C#CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3.9 0.9 3.9 0.9 1 linker/linker_19.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1243 Q9UM73 Anaplastic lymphoma kinase G1202R ALK G1202R N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C26 SIAIS001 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCC#C [R2]C#CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 200 0.9 200.0 0.9 1 linker/linker_19.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1244 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C27 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.2 1.2 1 linker/linker_393.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1245 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C28 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCC#C [R2]C#CCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.8 1.8 1 linker/linker_394.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1246 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCCCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C29 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCCC#C [R2]C#CCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCCCCC [R1]CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_395.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1247 Q9UM73 Anaplastic lymphoma kinase ALK CD246 N#CC1=CC2=C(C=C1)C3=C(C(C)(C)C4=CC(N5CCC(N6CCN(CCCCCCCC#CC7=CC=CC8=C7CN(C(CC9)C(NC9=O)=O)C8=O)CC6)CC5)=C(CC)C=C4C3=O)N2 CCC1=CC2=C(C=C1N1CCC(N3CCN(CCCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 8-[4-[4-[9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]non-8-ynyl]piperazin-1-yl]piperidin-1-yl]-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile C30 CCC1=CC2=C(C(C)(C3=C(C2=O)C4=C(C=C(C#N)C=C4)N3)C)C=C1N5CCC(N6CCN([R1])CC6)CC5 CCCCCCCC#C [R2]C#CCCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N C#CCCCCCCC [R1]CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3.3 3.3 1 linker/linker_1277.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_18.sdf 1248 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS121 SIAIS121 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 234.4 234.4 1 linker/linker_521.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1249 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS121 SIAIS121 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.999 4.999 1 linker/linker_521.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1250 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS122 SIAIS122 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCC=O O=C([R1])CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCC=O [R1]C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 110.4 110.4 1 linker/linker_522.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1251 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS122 SIAIS122 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCC=O O=C([R1])CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCC=O [R1]C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9765 0.9765 1 linker/linker_522.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1252 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS123 SIAIS123 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 209.3 209.3 1 linker/linker_232.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1253 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS123 SIAIS123 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.382 1.382 1 linker/linker_232.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1254 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS124 SIAIS124 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35.4 35.4 1 linker/linker_443.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1255 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS124 SIAIS124 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.4517 0.4517 1 linker/linker_443.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1256 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS125 SIAIS125 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30-50/100 22.1/71.27 100.0 46.685 1 linker/linker_255.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1257 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS125 SIAIS125 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 2.603/2.123 100.0 2.3630000000000004 1 linker/linker_255.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1258 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS126 SIAIS126 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <30/100 26.52/51.28 65.0 38.9 1 linker/linker_256.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1259 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN4CCN(C(CCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)=O C=CC(=O)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCCCN1CCN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide SIAIS126 SIAIS126 C=CC(NC1=C(OCCCN2CCN([R1])CC2)C=C3C(C(NC4=CC(Cl)=C(F)C=C4)=NC=N3)=C1)=O CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30-100 3.942/1.154 2.548 1 linker/linker_256.sdf warhead/warhead_1278.sdf e3_ligand/e3_ligand_7.sdf 1260 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C O=C(NC1=CC=CC(SC2=NC=C(N(CC3)CCC43[C@H](N)[C@H](C)OC4)N=C2N)=C1Cl)CCC(NCCCOCCOCCOCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O C[C@@H]1OCC2(CCN(C3=CN=C(SC4=CC=CC(NC(=O)CCC(=O)NCCCOCCOCCOCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C4Cl)C(N)=N3)CC2)[C@@H]1N N'-[3-[3-amino-5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]sulfanyl-2-chlorophenyl]-N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]butanediamide 11(ZB-S-29) ZB-S-29 C[C@H]1[C@@H](N)C2(CO1)CCN(C3=CN=C(SC4=C(Cl)C(N[R1])=CC=C4)C(N)=N3)CC2 O=CCCC(NCCCOCCOCCOCCC)=O O=C([R1])CCC(NCCCOCCOCCOCCC[R2])=O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=C(C(=CC=C1)SC2=NC=C(N=C2N)N3CCC4(CC3)CO[C@H]([C@H]4N)C)Cl CCCOCCOCCOCCCNC(=O)CCC=O [R1]C(=O)CCC(=O)NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6.02 207 6.02 207.0 1 linker/linker_1187.sdf warhead/warhead_1290.sdf e3_ligand/e3_ligand_7.sdf 1261 Q460N5 Protein mono-ADP-ribosyltransferase PARP14 PARP14 BAL2 ARTD8 O=C(NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCC(SCC(N5)=NC6=C(C(F)=CC(NC7CCCC7)=C6)C5=O)CC4 O=C(CN1CCC(SCC2=NC3=CC(NC4CCCC4)=CC(F)=C3C(=O)[NH]2)CC1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[4-[[7-(cyclopentylamino)-5-fluoro-4-oxo-3H-quinazolin-2-yl]methylsulfanyl]piperidin-1-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide RBN012811 RBN012811 O=C1NC(CSC2CCN([R1])CC2)=NC3=C1C(F)=CC(NC4CCCC4)=C3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)SCC2=NC3=C(C(=CC(=C3)NC4CCCC4)F)C(=O)N2 CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_804.sdf warhead/warhead_1291.sdf e3_ligand/e3_ligand_7.sdf 1262 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCCCCCCCN1C[C@H](NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(C(C)C)=O)=N2)CCC1)COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O CC(C)S(=O)(=O)C1=CC=CC=C1NC1=NC(N[C@@H]2CCCN(CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)=NC=C1Cl N-[7-[(3R)-3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]piperidin-1-yl]heptyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide BSJ-4-116 BSJ-4-116 ClC(C(NC1=CC=CC=C1S(=O)(C(C)C)=O)=N2)=CN=C2N[C@H]3CN([R1])CCC3 O=C(NCCCCCCC)CO O=C(NCCCCCCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)C(C)C)Cl CCCCCCCNC(=O)CO [R1]CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57/83 70.0 1 linker/linker_1292.sdf warhead/warhead_1292.sdf e3_ligand/e3_ligand_16.sdf 1263 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCCCNC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[[5-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-5-oxopentyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1 O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8/6.9 10.1/18.7 7.45 14.4 1 linker/linker_443.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1264 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCCCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[[6-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2 O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7.4/9.1 9.5/9.2 8.25 9.35 1 linker/linker_255.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1265 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCCCCCNC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[[7-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-7-oxoheptyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 14 O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 130.1/416 273.05 1 linker/linker_256.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1266 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 3-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide 19a O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCC=O O=C([R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCC=O [R1]CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_522.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1267 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCC(NC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide 19b O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCC=O O=C([R2])CCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCC=O [R1]CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 419.3/739.4 579.35 1 linker/linker_232.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1268 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 5-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide 19c O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCC=O O=C([R2])CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/726.5 863.25 1 linker/linker_443.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1269 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCCC(NC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 6-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide 19d O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCC=O O=C([R2])CCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/556.7 778.35 1 linker/linker_255.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1270 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCCCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 7-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide 19e O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCCC=O O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/418.2 709.1 1 linker/linker_256.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1271 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCCCCC(NC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 8-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 19f O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCCCC=O O=C([R2])CCCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_257.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_7.sdf 1272 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCC(NC6=C(CN(C7C(NC(CC7)=O)=O)C8=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 5-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide 19g O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCC=O O=C([R2])CCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 751/>1000 875.5 1 linker/linker_443.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_17.sdf 1273 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCCC(NC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 6-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide 19h O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCC=O O=C([R2])CCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_255.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_17.sdf 1274 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(CCCCCCC(NC6=C(CN(C7C(NC(CC7)=O)=O)C8=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 7-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]heptanamide 19i O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCCCC=O O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_256.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_17.sdf 1275 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCC#CC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[5-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-5-oxopent-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 24a O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 C#CCCC=O O=C([R1])CCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N C#CCCC=O [R1]C(=O)CCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/928.9 964.45 1 linker/linker_1305.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_16.sdf 1276 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCCC#CC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[6-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-6-oxohex-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 24b O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 C#CCCCC=O O=C([R1])CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N C#CCCCC=O [R1]C(=O)CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 93.7/424.3 259.0 1 linker/linker_1306.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_16.sdf 1277 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(F)=CC=C2)C(N)=C1C(N3)=NC4=C3C=CC(N5CCN(C(CCCCC#CC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)=C4 NC1=C(C2=NC3=CC(N4CCN(C(=O)CCCCC#CC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3[NH]2)C(=O)[NH]C2=CC=CC(F)=C12 4-[7-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-7-oxohept-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 24c O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 C#CCCCCC=O O=C([R1])CCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N C#CCCCCC=O [R1]C(=O)CCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 306.2/634.7 470.4500000000001 1 linker/linker_1307.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_16.sdf 1278 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1NC2=C(C(N)=C1C3=NC4=C(C=CC(N5CCN(CC5)C(CCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)=O)=C4)N3)C(F)=CC=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(C4=CC=C5[NH]C(C6=C(N)C7=C(F)C=CC=C7[NH]C6=O)=NC5=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[6-[4-[2-(4-amino-5-fluoro-2-oxo-1H-quinolin-3-yl)-1H-benzimidazol-5-yl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 28 O=C1NC2=C(C(F)=CC=C2)C(N)=C1C3=NC4=C(N3)C=CC(N5CCN([R1])CC5)=C4 CCCCC=O O=C([R1])CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC3=C(C=C2)NC(=N3)C4=C(C5=C(C=CC=C5F)NC4=O)N CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 184.9/415 299.95 1 linker/linker_443.sdf warhead/warhead_1293.sdf e3_ligand/e3_ligand_27.sdf 1279 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN(CC1)CCN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC=C(C(NCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)=O)=O)C=C4)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[4-[[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 8e CN1CCN(C2=C(C=C(C=C2)C3=CC=C([R1])C=C3)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)CC1 CCNC=O O=C([R1])NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCN(CC3)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CCNC=O [R1]C(=O)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 625 625.0 1 linker/linker_1309.sdf warhead/warhead_1309.sdf e3_ligand/e3_ligand_27.sdf 1280 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN(CC1)CCN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC=C(C(NCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)=O)=O)C=C4)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[4-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 8f CN1CCN(C2=C(C=C(C=C2)C3=CC=C([R1])C=C3)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)CC1 CCCNC=O O=C([R1])NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCN(CC3)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 116 116.0 1 linker/linker_688.sdf warhead/warhead_1309.sdf e3_ligand/e3_ligand_27.sdf 1281 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN(CC1)CCN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC=C(C(NCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)=O)=O)C=C4)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[4-[[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 8g CN1CCN(C2=C(C=C(C=C2)C3=CC=C([R1])C=C3)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)CC1 CCCCNC=O O=C([R1])NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCN(CC3)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CCCCNC=O [R1]C(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53 53.0 1 linker/linker_1311.sdf warhead/warhead_1309.sdf e3_ligand/e3_ligand_27.sdf 1282 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN(CC1)CCN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC=C(C(NCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)=O)=O)C=C4)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[4-[[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 8h CN1CCN(C2=C(C=C(C=C2)C3=CC=C([R1])C=C3)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)CC1 CCCCCNC=O O=C([R1])NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCN(CC3)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 920 920.0 1 linker/linker_104.sdf warhead/warhead_1309.sdf e3_ligand/e3_ligand_27.sdf 1283 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN(CC1)CCN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC=C(C(NCCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)=O)=O)C=C4)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(C4=CC=C(N5CCN(C)CC5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[4-[[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 8i CN1CCN(C2=C(C=C(C=C2)C3=CC=C([R1])C=C3)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)CC1 CCCCCCNC=O O=C([R1])NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CC(=C(C=C2)N3CCN(CC3)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CCCCCCNC=O [R1]C(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 915 915.0 1 linker/linker_1313.sdf warhead/warhead_1309.sdf e3_ligand/e3_ligand_27.sdf 1284 P61964 WD repeat-containing protein 5 WDR5 BIG3 O=C(CC1=CC=C(Cl)C(Cl)=C1)NCC2=C(OCCOCCOCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(NCC(C=C4)=CC=C4C5=C(C)N=CS5)=O)=O)=O)C=CC(C6=CN(CCC7)C7=N6)=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOC3=CC=C(C4=CN5CCCC5=N4)C=C3CNC(=O)CC3=CC=C(Cl)C(Cl)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 17b O=C(NCC1=C([R1])C=CC(C2=CN3CCCC3=N2)=C1)CC4=CC=C(C(Cl)=C4)Cl OCCOCCOCC [R1]OCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=C(C=C(C=C1)C2=CN3CCCC3=N2)CNC(=O)CC4=CC(=C(C=C4)Cl)Cl CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1240 1240.0 0 linker/linker_203.sdf warhead/warhead_1314.sdf e3_ligand/e3_ligand_27.sdf 1285 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propylamino]benzamide 10 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCC [R1]NCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCN [R1]NCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0/25/63/70 39.5 0 linker/linker_1104.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1286 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butylamino]benzamide 11 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCC [R1]NCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCN [R1]NCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/76/55/21 48.5 0 linker/linker_808.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1287 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]benzamide 12 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCC [R1]NCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 49/84/89/97 79.75 1 linker/linker_188.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1288 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexylamino]benzamide 13 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCCC [R1]NCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 69/85/77/79 77.5 1 linker/linker_415.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1289 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptylamino]benzamide 14 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCCCC [R1]NCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCCN [R1]NCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28/58/79/62 56.75 0 linker/linker_1319.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1290 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCCCCNC4=CC(C(N(C(C(N5)=O)CCC5=O)C6=O)=O)=C6C=C4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octylamino]benzamide 15 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCCCCC [R1]NCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCCCN [R1]NCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48/76/82/73 69.75 0 linker/linker_312.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1291 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCNC5=CC(C(N(C(C(N6)=O)CCC6=O)C7=O)=O)=C7C=C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]piperazin-1-yl]benzamide 16 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 58/83/79/76 74.0 1 linker/linker_1321.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1292 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCCNC5=CC(C(N(C(C(N6)=O)CCC6=O)C7=O)=O)=C7C=C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]piperazin-1-yl]benzamide 17 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22/37/54/53 41.5 0 linker/linker_1322.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1293 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCCCNC5=CC(C(N(C(C(N6)=O)CCC6=O)C7=O)=O)=C7C=C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]piperazin-1-yl]benzamide 18 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCCN1CCNCC1 [R2]CCCCN1CCN([R1])CC1 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCN1CCNCC1 [R1]N1CCN(CC1)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42/63/84/82 67.75 0 linker/linker_1323.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1294 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCCCCNC5=CC(C(N(C(C(N6)=O)CCC6=O)C7=O)=O)=C7C=C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentyl]piperazin-1-yl]benzamide 19 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCCCN1CCNCC1 [R2]CCCCCN1CCN([R1])CC1 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12/59/85/60 54.0 0 linker/linker_1324.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1295 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCNC4=CC=CC5=C4C(N(C(C(N6)=O)CCC6=O)C5=O)=O)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]benzamide 20 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCC [R2]CCCCCN[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5/9/36/38 22.0 0 linker/linker_188.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 1296 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(NCCCCCCNC4=CC=CC5=C4C(N(C(C(N6)=O)CCC6=O)C5=O)=O)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]benzamide 21 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C NCCCCCC [R2]CCCCCCN[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10/22/43/48 30.75 0 linker/linker_415.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 1297 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCNC5=CC=CC6=C5C(N(C(C(N7)=O)CCC7=O)C6=O)=O)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]piperazin-1-yl]benzamide 22 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5/23/41/32 25.25 0 linker/linker_1321.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 1298 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCCNC5=CC=CC6=C5C(N(C(C(N7)=O)CCC7=O)C6=O)=O)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]piperazin-1-yl]benzamide 23 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5/<5/<5/9 6.0 0 linker/linker_1322.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 1299 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CCCCCNC5=CC=CC6=C5C(N(C(C(N7)=O)CCC7=O)C6=O)=O)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]piperazin-1-yl]benzamide 24 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C CCCCCN1CCNCC1 [R2]CCCCCN1CCN([R1])CC1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C CCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7/40/47/32 31.5 0 linker/linker_1324.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_7.sdf 1300 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4N5CCN(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)CC5)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazin-1-yl]benzamide 25 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(N2CCNCC2)CNC1 [R1]N(CC1)CCN1C2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CNC2)CCN1 [R1]N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 54/77/91/73 73.75 1 linker/linker_1330.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1301 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N4CC(CN5CCN(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)CC5)C4)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]benzamide 26 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(CN2CCNCC2)CNC1 [R1]N(CC1)CCN1CC2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(CC2CNC2)CCN1 [R1]N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.15/5.08 7/10 64/96/98/90 2.615 87.0 8.5 1 linker/linker_1331.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1302 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(CC4)CCC4N5CCN(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)CC5)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide 27 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(N2CCNCC2)CCNCC1 [R1]N(CC1)CCN1C2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.76/1.41 8/11 79/93/85/55 1.085 78.0 9.5 1 linker/linker_1332.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1303 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N4CCC(CN5CCN(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)CC5)CC4)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 28 ARD-2128 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.28/8.3 4/5 62/94/98/96 4.29 87.5 4.5 1 linker/linker_1235.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1304 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4N5CCN(C(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)=O)CC5)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]benzamide 29 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C O=CN(CC1)CCN1C2CNC2 O=C([R1])N(CC1)CCN1C2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 71/83/95/83 83.0 1 linker/linker_1334.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1305 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N4CC(CN5CCN(C(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)=O)CC5)C4)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]benzamide 30 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C O=CN(CC1)CCN1CC2CNC2 O=C([R1])N(CC1)CCN1CC2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C O=CN1CCN(CC2CNC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 65/92/96/79 83.0 1 linker/linker_1335.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1306 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(CC4)CCC4N5CCN(C(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)=O)CC5)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazine-1-carbonyl]benzamide 31 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C O=CN(CC1)CCN1C2CCNCC2 O=C([R1])N(CC1)CCN1C2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C O=CN1CCN(C2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 85/97/96/83 90.25 1 linker/linker_1336.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1307 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N4CCC(CN5CCN(C(C(C=C6)=CC=C6C(N[C@H](C7(C)C)C(C)(C)[C@@H]7OC8=CC=C(C#N)C(Cl)=C8)=O)=O)CC5)CC4)=C3)=O)=O CC1(C)[C@H](NC(=O)C2=CC=C(C(=O)N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]benzamide 32 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C O=CN(CC1)CCN1CC2CCNCC2 O=C([R1])N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C O=CN1CCN(CC2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 76/97/97/96 91.5 1 linker/linker_1337.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1308 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2(C)C)C(C)(C)[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)C=C3)=O)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 33 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.12/1.43 4/14 57/93/96/85 0.7749999999999999 82.75 9.0 1 linker/linker_1332.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1309 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2(C)C)C(C)(C)[C@H]2NC(C3=CC=C(N4CCC(CN(CC5)CCN5C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)C=C3)=O)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide 34 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CC1)CN2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.38/3.38 5/13 40/96/99/99 1.88 83.5 9.0 1 linker/linker_1235.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1310 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(C5CC6(CN(C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)C6)C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]piperazin-1-yl]benzamide 35 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(C2CC3(C2)CNC3)CCNCC1 [R1]N1CCN(CC1)C2CC3(C2)CN([R2])C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CC3(CNC3)C2)CCN1 [R1]N1CCN(CC1)C2CC3(C2)CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 37/78/93/88 74.0 1 linker/linker_1340.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1311 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CC5CC6(CN(C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)C6)C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.3]heptan-6-yl]methyl]piperazin-1-yl]benzamide 36 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(CC2CC3(C2)CNC3)CCNCC1 [R1]N1CCN(CC1)CC2CC3(C2)CN([R2])C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(CC2CC3(CNC3)C2)CCN1 [R1]N1CCN(CC1)CC2CC3(C2)CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30/82/97/95 76.0 1 linker/linker_1341.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1312 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(C5CC6(CCN(C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)C6)C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-azaspiro[3.4]octan-2-yl]piperazin-1-yl]benzamide 37 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(C2CC3(C2)CCNC3)CCNCC1 [R1]N1CCN(CC1)C2CC3(C2)CCN([R2])C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CC3(CCNC3)C2)CCN1 [R1]N1CCN(CC1)C2CC3(C2)CCN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 38/80/87/84 72.25 1 linker/linker_1342.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1313 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(CC5CC6(CCN(C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)C6)C5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CC5(CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-6-azaspiro[3.4]octan-2-yl]methyl]piperazin-1-yl]benzamide 38 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(CC2CC3(C2)CCNC3)CCNCC1 [R1]N1CCN(CC1)CC2CC3(C2)CCN([R2])C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(CC2CC3(CCNC3)C2)CCN1 [R1]N1CCN(CC1)CC2CC3(C2)CCN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16/56/71/51 48.5 0 linker/linker_1343.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1314 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(C5CCC6(CCN(C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)CC6)CC5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCC5(CC4)CCN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)CC5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-3-azaspiro[5.5]undecan-9-yl]piperazin-1-yl]benzamide 39 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(C2CCC3(CC2)CCNCC3)CCNCC1 [R1]N1CCN(CC1)C2CCC3(CC2)CCN([R2])CC3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CCC3(CCNCC3)CC2)CCN1 [R1]N1CCN(CC1)C2CCC3(CC2)CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 14/38/67/80 49.75 0 linker/linker_1344.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1315 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@H]2C(C)(C)[C@H](NC(C3=CC=C(N4CCN(C5CCC(CN6C7=CC(C(N(C(C(N8)=O)CCC8=O)C9=O)=O)=C9C=C7)(C6)CC5)CC4)C=C3)=O)C2(C)C)=C1 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(C4CCC5(CC4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-azaspiro[3.5]nonan-7-yl]piperazin-1-yl]benzamide 40 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C N1(C2CCC3(CC2)CNC3)CCNCC1 [R1]N1CCN(CC1)C2CCC3(CC2)CN([R2])C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CN(C2CCC3(CC2)CNC3)CCN1 [R1]N1CCN(CC1)C2CCC3(CC2)CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 15/48/73/82 54.5 0 linker/linker_1345.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_616.sdf 1316 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2(C)C)C(C)(C)[C@H]2NC(C3=CC=C(N(CC4)CCC4(C5)CC5NC6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)C=C3)=O)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC4(CC3)CC(NC3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-7-azaspiro[3.5]nonan-7-yl]benzamide 41 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1CC2(CCNCC2)C1 [R1]N1CCC2(CC1)CC([R2])C2 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CC2(C1)CCNCC2 [R1]N1CCC2(CC1)CC(C2)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0/16/82/88 46.5 0 linker/linker_1346.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1317 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2(C)C)C(C)(C)[C@H]2NC(C3=CC=C(N(CC4)CCC4(CC5)CCC5NC6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)C=C3)=O)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(N3CCC4(CCC(NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-3-azaspiro[5.5]undecan-3-yl]benzamide 42 CC1([C@@H](C(C)([C@H]1OC2=CC=C(C(Cl)=C2)C#N)C)NC(C3=CC=C([R1])C=C3)=O)C C1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCC([R2])CC2 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl)(C)C C1CCC2(CC1)CCNCC2 [R1]N1CCC2(CCC(CC2)[R2])CC1 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13/30/38/57 34.5 0 linker/linker_1347.sdf warhead/warhead_51.sdf e3_ligand/e3_ligand_250.sdf 1318 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2)C(C)(C)[C@H]2NC(C3=CC=C(N4CCN(CC(CC5)CCN5C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)C=C3)=O)=CC=C1C#N CC1(C)[C@@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C[C@@H]1OC1=CC=C(C#N)C(Cl)=C1 N-[(1S,3S)-3-(3-chloro-4-cyanophenoxy)-2,2-dimethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 43 ClC1=CC(O[C@H]2C[C@H](NC(C3=CC=C([R1])C=C3)=O)C2(C)C)=CC=C1C#N C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C[C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/19/75/90 47.25 0 linker/linker_1235.sdf warhead/warhead_1348.sdf e3_ligand/e3_ligand_616.sdf 1319 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(O[C@@H](C2)C[C@H]2NC(C3=CC=C(N4CCN(CC(CC5)CCN5C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)C=C3)=O)=CC=C1C#N N#CC1=CC=C(O[C@H]2C[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)C2)C=C1Cl N-[3-(3-chloro-4-cyanophenoxy)cyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 44 ClC1=CC(O[C@H]2C[C@H](NC(C3=CC=C([R1])C=C3)=O)C2)=CC=C1C#N C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C[C@@H](C2)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/30/25/39 24.75 0 linker/linker_1235.sdf warhead/warhead_1349.sdf e3_ligand/e3_ligand_616.sdf 1320 P10275 Androgen receptor AR DHTR NR3C4 FC1=CC(O[C@@H](C2(C)C)C(C)(C)[C@H]2NC(C3=CC=C(N4CCN(CC(CC5)CCN5C6=CC=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=C6)CC4)C=C3)=O)=CC=C1C#N CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(F)=C1 N-[3-(4-cyano-3-fluorophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 45 FC1=CC(O[C@H](C(C)([C@H]2NC(C3=CC=C([R1])C=C3)=O)C)C2(C)C)=CC=C1C#N C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)F)(C)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/15/75/80 43.75 0 linker/linker_1235.sdf warhead/warhead_1350.sdf e3_ligand/e3_ligand_616.sdf 1321 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=CC=C(N2CCN(CC(CC3)CCN3C4=CC=C5C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)=C4)CC2)C=C1)N[C@@H]7C(C)(C)[C@H](C7(C)C)OC8=CC=C(C#N)C(C(F)(F)F)=C8 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CC=C(C#N)C(C(F)(F)F)=C1 N-[3-[4-cyano-3-(trifluoromethyl)phenoxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 46 O=C(N[C@@H]1C(C)([C@@H](OC2=CC=C(C(C(F)(F)F)=C2)C#N)C1(C)C)C)C3=CC=C([R1])C=C3 C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(C=C3)C#N)C(F)(F)F)(C)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22/45/87/90 61.0 0 linker/linker_1235.sdf warhead/warhead_1351.sdf e3_ligand/e3_ligand_616.sdf 1322 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=CC=C(N2CCN(CC(CC3)CCN3C4=CC=C5C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)=C4)CC2)C=C1)N[C@@H]7C(C)(C)[C@H](C7(C)C)OC8=CN=C(C#N)C(C(F)(F)F)=C8 CC1(C)[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)C(C)(C)[C@H]1OC1=CN=C(C#N)C(C(F)(F)F)=C1 N-[3-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 47 O=C(N[C@@H]1C(C)([C@@H](OC2=CN=C(C(C(F)(F)F)=C2)C#N)C1(C)C)C)C3=CC=C([R1])C=C3 C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2C([C@@H](C2(C)C)OC3=CC(=C(N=C3)C#N)C(F)(F)F)(C)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6/12/33/41 23.0 0 linker/linker_1235.sdf warhead/warhead_1352.sdf e3_ligand/e3_ligand_616.sdf 1323 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 23 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 158.5 100/398.1 158.5 249.05 1 linker/linker_1353.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1324 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 23 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 158.5 100/398.1 158.5 249.05 1 linker/linker_1353.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1325 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 23 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCN [R1]NCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 125.89 100/398.1 125.89 249.05 1 linker/linker_1353.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1326 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 251.2 199.5/631 251.2 415.25 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1327 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 199.5 199.5/631 199.5 415.25 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1328 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[3-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 24 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCN [R1]NCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 125.89 199.5/631 125.89 415.25 1 linker/linker_265.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1329 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCOCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 25 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 125.9 199.5/794.3 125.9 496.9 1 linker/linker_870.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1330 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCOCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 25 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 199.5 199.5/794.3 199.5 496.9 1 linker/linker_870.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1331 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCOCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 25 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCO [R1]OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39.81 199.5/794.3 39.81 496.9 1 linker/linker_870.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1332 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 26 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.3 4/63.1 1.3 33.55 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 1333 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 26 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.0 4/63.1 4.0 33.55 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 1334 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 26 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6.31 4/63.1 6.31 33.55 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_23.sdf 1335 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[5-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 27 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 79.4 125.9/316.2 79.4 221.05 1 linker/linker_1365.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1336 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[5-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 27 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100.0 125.9/316.2 100.0 221.05 1 linker/linker_1365.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1337 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[5-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 27 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCCCOCCO [R1]OCCOCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63.10 125.9/316.2 63.1 221.05 1 linker/linker_1365.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1338 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 28 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63.1 50.1/251.2 63.1 150.65 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1339 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 28 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63.1 50.1/251.2 63.1 150.65 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1340 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=C(SC=N1)C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCOCCOC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCOCCOC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 2-[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]ethyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 28 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCCOCCO [R1]OCCOCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.62 50.1/251.2 31.62 150.65 1 linker/linker_871.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_27.sdf 1341 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(CCOCCC(N[C@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1 (2S,4R)-4-hydroxy-1-[(2R)-2-[3-[2-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[4-(propanoylamino)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7a O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_14.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_27.sdf 1342 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(CCCCOCCC(N[C@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1 (2S,4R)-4-hydroxy-1-[(2R)-2-[3-[4-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[4-(propanoylamino)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]butoxy]propanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7b O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O CCCCOCC [R1]CCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC CCCCOCC [R1]CCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_994.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_27.sdf 1343 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(CCCCCCOCCC(N[C@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1 (2S,4R)-4-hydroxy-1-[(2R)-2-[3-[6-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[4-(propanoylamino)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]hexoxy]propanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7c O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O CCCCCCOCC [R1]CCCCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC CCCCCCOCC [R1]CCCCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_1373.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_27.sdf 1344 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(CCCCCCCCOCCC(N[C@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(CCCCCCCCOCCC(=O)N[C@@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4OC)N=C32)CC1 (2S,4R)-4-hydroxy-1-[(2R)-2-[3-[8-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[4-(propanoylamino)cyclohexyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]octoxy]propanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7d O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O CCCCCCCCOCC [R1]CCCCCCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC CCCCCCCCOCC [R1]CCCCCCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_1374.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_27.sdf 1345 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCC#CC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8a O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCC=O O=C([R1])CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCC=O [R1]C(=O)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 598.7/>1000 799.35 1 linker/linker_1306.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_18.sdf 1346 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCC#CC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8b O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCC=O O=C([R1])CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCC=O [R1]C(=O)CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4.97/20.3 12.635 1 linker/linker_1376.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_18.sdf 1347 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCC#CC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]dec-9-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8c O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCC=O O=C([R1])CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCC=O [R1]C(=O)CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 7.05/58.1 32.575 1 linker/linker_1377.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_18.sdf 1348 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCCCC#CC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[12-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]dodec-11-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8d O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2.25/49.6 25.925 1 linker/linker_1378.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_18.sdf 1349 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCC#CC6=CC=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]hex-5-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8e O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCC=O O=C([R1])CCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCC=O [R1]C(=O)CCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1.75/5.8 110 3.775 110.0 1 linker/linker_1306.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_21.sdf 1350 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCC#CC6=CC=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oct-7-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8f O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCC=O O=C([R1])CCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCC=O [R1]C(=O)CCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1.55/35 18.275 1 linker/linker_1376.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_21.sdf 1351 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCC#CC6=CC=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]dec-9-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8g O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCC=O O=C([R1])CCCCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCC=O [R1]C(=O)CCCCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 3.04/663 333.02 1 linker/linker_1377.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_21.sdf 1352 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCCCC#CC6=CC=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[12-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]dodec-11-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8h O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 5.6/30.2 17.9 1 linker/linker_1378.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_21.sdf 1353 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCC#CC6=CC(C(N(C7C(NC(CC7)=O)=O)C8)=O)=C8C=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]hex-5-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8i O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCC=O O=C([R1])CCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCC=O [R1]C(=O)CCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 3.31/25.4 14.355 1 linker/linker_1306.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_22.sdf 1354 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCC#CC6=CC(C(N(C7C(NC(CC7)=O)=O)C8)=O)=C8C=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oct-7-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8j O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCC=O O=C([R1])CCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCC=O [R1]C(=O)CCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 3.15/12.4 250 7.775 250.0 1 linker/linker_1376.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_22.sdf 1355 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCC#CC6=CC(C(N(C7C(NC(CC7)=O)=O)C8)=O)=C8C=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]dec-9-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8k O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCC=O O=C([R1])CCCCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCC=O [R1]C(=O)CCCCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 7.03/161 84.015 1 linker/linker_1377.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_22.sdf 1356 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCCCC#CC6=CC(C(N(C7C(NC(CC7)=O)=O)C8)=O)=C8C=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=C7CN(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[12-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]dodec-11-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8l O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC#C[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 19.09/74.5 46.795 1 linker/linker_1378.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_22.sdf 1357 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCC#CC6=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=CC=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]hex-5-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8m O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCC=O O=C([R1])CCCC#C[R2] [R2]C1=CC=CC(CN2C3CCC(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCC=O [R1]C(=O)CCCC#C[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O 30.28/>1000 515.14 1 linker/linker_1306.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_1358.sdf 1358 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCC#CC6=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=CC=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]oct-7-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8n O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCC=O O=C([R1])CCCCCC#C[R2] [R2]C1=CC=CC(CN2C3CCC(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCC=O [R1]C(=O)CCCCCC#C[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O 31.35/>1000 515.675 1 linker/linker_1376.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_1358.sdf 1359 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N([C@@H]2CC[C@H](NC(CC)=O)CC2)C3=NC(NC4=C(OC)C=C(N5CCN(C(CCCCCCCC#CC6=C(C(N(C7C(NC(CC7)=O)=O)C8)=O)C8=CC=C6)=O)CC5)C=C4)=NC=C3C(C)=C1 CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]dec-9-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8o O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCC=O O=C([R1])CCCCCCCC#C[R2] [R2]C1=CC=CC(CN2C3CCC(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCC=O [R1]C(=O)CCCCCCCC#C[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O 46/496 271.0 1 linker/linker_1377.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_1358.sdf 1360 P33981 Dual specificity protein kinase TTK TTK MPS1 MPS1L1 O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)C(CCCCCCCCCC#CC5=CC=CC6=C5C(N(C6)C7C(NC(CC7)=O)=O)=O)=O)OC)=NC=C2C(C)=C1)[C@@H]8CC[C@@H](CC8)NC(CC)=O CCC(=O)N[C@H]1CC[C@@H](N2C(=O)C=C(C)C3=CN=C(NC4=CC=C(N5CCN(C(=O)CCCCCCCCCC#CC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7)CC5)C=C4OC)N=C32)CC1 N-[4-[2-[4-[4-[12-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]dodec-11-ynoyl]piperazin-1-yl]-2-methoxyanilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]cyclohexyl]propanamide 8p O=C1N(C2=NC(NC3=C(C=C(C=C3)N4CCN(CC4)[R1])OC)=NC=C2C(C)=C1)[C@@H]5CC[C@@H](CC5)NC(CC)=O C#CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC#C[R2] [R2]C1=CC=CC(CN2C3CCC(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C(=O)C=C4C)[C@H]5CC[C@H](CC5)NC(=O)CC)OC C#CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC#C[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O 21.71/>1000 510.855 1 linker/linker_1378.sdf warhead/warhead_1371.sdf e3_ligand/e3_ligand_1358.sdf 1361 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CC[C@@H](NC([C@@H]1C[C@@H](CN1C([C@@H](NC([C@H](C)NC)=O)C(C)(C)C)=O)NC(COCCOCCOCCOCCOC2=CC3=NC=CC(NC4=CC5=C(SC=N5)C=C4)=C3C=C2S(=O)(C(C)(C)C)=O)=O)=O)C6=CC=CC=C6 CC[C@@H](NC(=O)[C@@H]1C[C@H](NC(=O)COCCOCCOCCOCCOC2=CC3=NC=CC(NC4=CC=C5SC=NC5=C4)=C3C=C2S(=O)(=O)C(C)(C)C)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C1=CC=CC=C1 (2S,4S)-4-[[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1-phenylpropyl]pyrrolidine-2-carboxamide 4 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 NC(COCCOCCOCCOCC)=O O=C(COCCOCCOCCOCC[R1])N[R2] CC[C@H](C1=CC=CC=C1)NC([C@@H]2C[C@@H](CN2C([C@H](C(C)(C)C)NC([C@@H](NC)C)=O)=O)[R2])=O IAP Q96P09 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOCC(N)=O [R1]CCOCCOCCOCCOCC(=O)N[R2] [R2][C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@H](CC)C2=CC=CC=C2 25.12 25.12 1 linker/linker_1391.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_1362.sdf 1362 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@H](C(N[C@H](C(N1CCC[C@H]1C2=NC(C(C3=CC=C(F)C=C3)=O)=CS2)=O)C4CCN(C(COCCOCCOCCOCCOC5=CC6=C(C=C5S(=O)(C(C)(C)C)=O)C(NC7=CC8=C(SC=N8)C=C7)=CC=N6)=O)CC4)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)COCCOCCOCCOCCOC2=CC3=NC=CC(NC4=CC=C5SC=NC5=C4)=C3C=C2S(=O)(=O)C(C)(C)C)CC1 (2S)-N-[(1S)-1-[1-[2-[2-[2-[2-[2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 5 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=CC2=NC=CC(=C2C=C1S(=O)(=O)C(C)(C)C)NC3=CC4=C(C=C3)SC=N4 CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 10 10.0 1 linker/linker_555.sdf warhead/warhead_298.sdf e3_ligand/e3_ligand_698.sdf 1363 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@H](C(N[C@@H](C(C)(C)C)C(N1CC2=CC(OCCOCCOCCOCCOC3=CC4=C(C=C3S(=O)(C(C)(C)C)=O)C(NC5=NNC(C)=C5C)=NC=N4)=CC=C2C[C@H]1C(N[C@@H]6CCCC7=C6C=CC=C7)=O)=O)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCOCCOCCOC3=CC4=NC=NC(NC5=N[NH]C(C)=C5C)=C4C=C3S(=O)(=O)C(C)(C)C)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-7-[2-[2-[2-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 6 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O OCCOCCOCCOCC [R1]CCOCCOCCOCCO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 31.62 31.62 1 linker/linker_204.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_210.sdf 1364 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@H](C(N[C@H](C(N1CCC[C@H]1C2=NC(C(C3=CC=C(F)C=C3)=O)=CS2)=O)C4CCN(C(COCCOCCOCCOCCOC5=CC6=C(C=C5S(=O)(C(C)(C)C)=O)C(NC7=NNC(C)=C7C)=NC=N6)=O)CC4)=O)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)COCCOCCOCCOCCOC2=CC3=NC=NC(NC4=N[NH]C(C)=C4C)=C3C=C2S(=O)(=O)C(C)(C)C)CC1 (2S)-N-[(1S)-1-[1-[2-[2-[2-[2-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 7 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O CCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCOCCOCCOCCOCC=O [R1]CCOCCOCCOCCOCC(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 63.1 63.1 1 linker/linker_555.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1365 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(COC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(COC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxymethyl]piperidin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 8 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(N=C1)N2CCC(CC2)C O=C([R2])C1=CN=C(N=C1)N2CCC(CC2)C[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CC1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 25.12 25.12 1 linker/linker_1395.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1366 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperidin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 9 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(N=C1)N2CCC(CC2)CC O=C([R2])C1=CN=C(N=C1)N2CCC(CC2)CC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCC1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CCC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 15.85 15.85 1 linker/linker_1396.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1367 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCC(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperidin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 10 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(N=C1)N2CCC(CC2)CCC O=C([R2])C1=CN=C(N=C1)N2CCC(CC2)CCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCC1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CCCC1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 3.16 3.16 1 linker/linker_1397.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1368 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[2-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]pyrimidine-5-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 12 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(N=C1)N2CCN(CC2)CCC O=C([R2])C1=CN=C(N=C1)N2CCN(CC2)CCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=NC=C(C=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(C=N2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 2 2.0 1 linker/linker_1398.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1369 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=C2)CC1 (2S)-N-[(1S)-1-[1-[4-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]benzoyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 13 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CC=C(C=C1)N2CCN(CC2)CCC O=C([R2])C1=CC=C(C=C1)N2CCN(CC2)CCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CC=C(C=O)C=C2)CC1 [R1]CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 12.59 12.59 1 linker/linker_1399.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1370 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[6-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyridine-3-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 14 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CC=C(N=C1)N2CCN(CC2)CC O=C([R2])C1=CC=C(N=C1)N2CCN(CC2)CC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCN1CCN(C2=CC=C(C=O)C=N2)CC1 [R1]CCN1CCN(CC1)C2=NC=C(C=C2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 10 10.0 1 linker/linker_1400.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1371 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CC=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)N=C2)CC1 (2S)-N-[(1S)-1-[1-[6-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]pyridine-3-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 15 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CC=C(N=C1)N2CCN(CC2)CCC O=C([R2])C1=CC=C(N=C1)N2CCN(CC2)CCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CC=C(C=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(C=C2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 7.94 7.94 1 linker/linker_1401.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1372 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC1 (2S)-N-[(1S)-1-[1-[5-[4-[2-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxyethyl]piperazin-1-yl]pyrazine-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 16 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(C=N1)N2CCN(CC2)CC O=C([R2])C1=CN=C(C=N1)N2CCN(CC2)CC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCN1CCN(C2=CN=C(C=O)C=N2)CC1 [R1]CCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 15.85 15.85 1 linker/linker_1402.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1373 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC1 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=C(F)C=C2)=CS1)C1CCN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC1 (2S)-N-[(1S)-1-[1-[5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]pyrazine-2-carbonyl]piperidin-4-yl]-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide 17 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O O=CC1=CN=C(C=N1)N2CCN(CC2)CCC O=C([R2])C1=CN=C(C=N1)N2CCN(CC2)CCC[R1] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CN=C(C=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)[R2] [R2]N1CCC(CC1)[C@@H](C(=O)N2CCC[C@H]2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC(=O)[C@H](C)NC 0.13 1.58 0.13 1.58 1 linker/linker_700.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_698.sdf 1374 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C 5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N-[(3S,5S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]pyrazine-2-carboxamide 18 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O NC(C1=CN=C(C=N1)N2CCN(CC2)CCC)=O O=C(C1=CN=C(C=N1)N2CCN(CC2)CCC[R1])N[R2] CN[C@H](C(N[C@@H](C(C)(C)C)C(N1C[C@H](C[C@H]1C(N[C@@H]2CCCC3=CC=CC=C32)=O)[R2])=O)=O)C IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CN=C(C(N)=O)C=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(N=C2)C(=O)N[R2] [R2][C@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]2CCCC3=CC=CC=C23 0.16 2.51 0.16 2.51 1 linker/linker_1404.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_1375.sdf 1375 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCC4=CC=CC=C43)N2C1=O CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)C2=CN=C(N3CCN(CCCOC4=CC5=NC=NC(NC6=N[NH]C(C)=C6C)=C5C=C4S(=O)(=O)C(C)(C)C)CC3)C=N2)CC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCC4=CC=CC=C43)N2C1=O (5S,8S,10aR)-3-[5-[4-[3-[6-tert-butylsulfonyl-4-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]quinazolin-7-yl]oxypropyl]piperazin-1-yl]pyrazine-2-carbonyl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide 19 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O CCCN(CC1)CCN1C2=NC=CN=C2 [R2]C1=CN=C(C=N1)N2CCN(CC2)CCC[R1] C[C@H](NC)C(N[C@H]1CN(C([R2])=O)CC[C@H]2CCC(C(N[C@@H]3CCCC4=CC=CC=C34)=O)N2C1=O)=O IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C2=CN=CC=N2)CC1 [R1]CCCN1CCN(CC1)C2=NC=C(N=C2)[R2] [R2]C(=O)N1CC[C@H]2CCC(N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34 0.1 3.16 0.1 3.16 1 linker/linker_1405.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_1376.sdf 1376 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CC1=N[NH]C(NC2=NC=NC3=CC(OCCCN4CCN(C(=O)C5=CN=C(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)C8=C7C=C(CC7=CC=C(F)C=C7)C(=O)N8C)[C@H](C)C6)N=C5)CC4)=C(S(=O)(=O)C(C)(C)C)C=C23)=C1C CC1=N[NH]C(NC2=NC=NC3=CC(OCCCN4CCN(C(=O)C5=CN=C(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)C8=C7C=C(CC7=CC=C(F)C=C7)C(=O)N8C)[C@H](C)C6)N=C5)CC4)=C(S(=O)(=O)C(C)(C)C)C=C23)=C1C 1-[2-[(2R,5R)-2-[[(2R)-4-[5-[4-[3-[6-tert-butylsulfonyl-4-[(3,4-dimethyl-1H-pyrazol-5-yl)amino]quinazolin-7-yl]oxypropyl]piperazine-1-carbonyl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-6-[(4-fluorophenyl)methyl]-3,3,4-trimethyl-2H-pyrrolo[3,2-b]pyridin-5-one 21 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O CCCN1CCN(CC1)C(C2=CN=CN=C2)=O O=C(C1=CN=C([R2])N=C1)N(CC2)CCN2CCC[R1] C[C@@H](NC[C@@H]1CN2CCN([R2])C[C@H]2C)CN1CC(N3CC(C4=C3C=C(CC5=CC=C(F)C=C5)C(N4C)=O)(C)C)=O IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C(=O)C2=CN=CN=C2)CC1 [R1]CCCN1CCN(CC1)C(=O)C2=CN=C(N=C2)[R2] [R2]N1CCN([C@@H](C1)C)C[C@H]2CN[C@@H](CN2CC(=O)N3CC(C4=C3C=C(C(=O)N4C)CC5=CC=C(C=C5)F)(C)C)C 0.05 2.51 0.05 2.51 1 linker/linker_1406.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_1377.sdf 1377 O43353 Receptor-interacting serine/threonine-protein kinase 2 RIPK2 CARDIAK RICK CC1=N[NH]C(NC2=NC=NC3=CC(OCCCN4CCN(C(=O)C5=CN=C(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)C8=NC=C(CC9=CC=C(F)C=C9)C=C87)[C@H](C)C6)N=C5)CC4)=C(S(=O)(=O)C(C)(C)C)C=C23)=C1C CC1=N[NH]C(NC2=NC=NC3=CC(OCCCN4CCN(C(=O)C5=CN=C(N6CCN(C[C@H]7CN[C@H](C)CN7CC(=O)N7CC(C)(C)C8=NC=C(CC9=CC=C(F)C=C9)C=C87)[C@H](C)C6)N=C5)CC4)=C(S(=O)(=O)C(C)(C)C)C=C23)=C1C 2-[(2R,5R)-2-[[(2R)-4-[5-[4-[3-[6-tert-butylsulfonyl-4-[(3,4-dimethyl-1H-pyrazol-5-yl)amino]quinazolin-7-yl]oxypropyl]piperazine-1-carbonyl]pyrimidin-2-yl]-2-methylpiperazin-1-yl]methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone 22 [R1]OC1=CC2=C(C(NC3=NNC(C)=C3C)=NC=N2)C=C1S(=O)(C(C)(C)C)=O CCCN1CCN(CC1)C(C2=CN=CN=C2)=O O=C(C1=CN=C([R2])N=C1)N(CC2)CCN2CCC[R1] C[C@H](CN1CC(N2CC(C)(C3=NC=C(C=C32)CC4=CC=C(C=C4)F)C)=O)NC[C@@H]1CN5CCN([R2])C[C@H]5C IAP Q96P09 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=NNC(=C3C)C)S(=O)(=O)C(C)(C)C CCCN1CCN(C(=O)C2=CN=CN=C2)CC1 [R1]CCCN1CCN(CC1)C(=O)C2=CN=C(N=C2)[R2] [R2]N1CCN([C@@H](C1)C)C[C@H]2CN[C@@H](CN2CC(=O)N3CC(C4=C3C=C(C=N4)CC5=CC=C(C=C5)F)(C)C)C 0.16 6.3 0.16 6.3 1 linker/linker_1406.sdf warhead/warhead_698.sdf e3_ligand/e3_ligand_1378.sdf 1378 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CNC(CCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)C[C@@H](O)C2)=O)=O)=O)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]hexanediamide PP1 PP1 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCC)=O O=C(CCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCC(=O)NC [R1]CNC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 340.2/303.6 321.9 1 linker/linker_729.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1379 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CNC(CCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)C[C@@H](O)C2)=O)=O)=O)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]heptanediamide PP2 PP2 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCC)=O O=C(CCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCC(=O)NC [R1]CNC(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 306.8/234.2 270.5 1 linker/linker_1409.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1380 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CNC(CCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)C[C@@H](O)C2)=O)=O)=O)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]octanediamide PP3 PP3 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCC)=O O=C(CCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(=O)NC [R1]CNC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 219.4/108.4 163.9 1 linker/linker_1410.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1381 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CNC(CCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)C[C@@H](O)C2)=O)=O)=O)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]nonanediamide PP4 PP4 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCCC)=O O=C(CCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 124.7/43.7 84.2 1 linker/linker_1411.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1382 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(CNC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C)=O)C[C@@H](O)C2)=O)=O)=O)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]decanediamide PP5 PP5 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCCCC)=O O=C(CCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.6/22.6 32.1/23.3 27.1 27.700000000000003 1 linker/linker_1412.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1383 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC(C)(C)[C@@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCC(NCC4(C)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]undecanediamide PP6 PP6 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCCCCC)=O O=C(CCCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 74.6/29.2 51.9 1 linker/linker_1413.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1384 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCCCCCCCCCC(NCC4(C)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC4)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide PP7 PP7 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 111.8/96.3 104.05 1 linker/linker_1022.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1385 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCCCCCCCCCCC(NCC4(C)CC(CN5CCN(C6=CC=C(C(NS(C7=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC8=CC=CC=C8)CCN9CCOCC9)C=C7)(=O)=O)=O)C=C6)CC5)=C(C%10=CC=C(Cl)C=C%10)CC4)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]tridecanediamide PP8 PP8 [R1]C1(CCC(C2=CC=C(C=C2)Cl)=C(C1)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(=O)(C5=CC=C(C(S(=O)(C(F)(F)F)=O)=C5)N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)=O)=O)C CNC(CCCCCCCCCCC)=O O=C(CCCCCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 333.6/409.8 371.7000000000001 1 linker/linker_1415.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1386 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX ClC1=CC=C(C2=C(CN3CCN(C4=CC=C(C(NS(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)C=C5)(=O)=O)=O)C=C4)CC3)C[C@@](C)(CNC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N8C[C@H](O)C[C@H]8C(N[C@H](C9=CC=C(C%10=C(C)N=CS%10)C=C9)C)=O)=O)=O)=O)CC2)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[(1S)-4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]decanediamide PZ703a PZ703a ClC1=CC=C(C=C1)C2=C(C[C@@]([R1])(CC2)C)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCOCC6)CSC7=CC=CC=C7)(=O)=O)=O CNC(CCCCCCCC)=O O=C(CCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 127.4/75.2 170.4/418.3 101.3 294.35 1 linker/linker_1412.sdf warhead/warhead_1416.sdf e3_ligand/e3_ligand_23.sdf 1387 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX ClC1=CC=C(C2=C(CN3CCN(C4=CC=C(C(NS(C5=CC(S(=O)(C(F)(F)F)=O)=C(N[C@@H](CSC6=CC=CC=C6)CCN7CCOCC7)C=C5)(=O)=O)=O)C=C4)CC3)C[C@](C)(CNC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N8C[C@H](O)C[C@H]8C(N[C@H](C9=CC=C(C%10=C(C)N=CS%10)C=C9)C)=O)=O)=O)=O)CC2)C=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC[C@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN4CCN(C5=CC=C(C(=O)NS(=O)(=O)C6=CC=C(N[C@H](CCN7CCOCC7)CSC7=CC=CC=C7)C(S(=O)(=O)C(F)(F)F)=C6)C=C5)CC4)C3)C(C)(C)C)C=C2)SC=N1 N-[[(1R)-4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]decanediamide PZ703b PZ703b ClC1=CC=C(C=C1)C2=C(C[C@]([R1])(CC2)C)CN3CCN(CC3)C4=CC=C(C=C4)C(NS(C5=CC(S(=O)(C(F)(F)F)=O)=C(C=C5)N[C@H](CCN6CCOCC6)CSC7=CC=CC=C7)(=O)=O)=O CNC(CCCCCCCC)=O O=C(CCCCCCCC[R2])NC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 14.3/11.6 15.9/11.3 12.95 13.6 1 linker/linker_1412.sdf warhead/warhead_1417.sdf e3_ligand/e3_ligand_23.sdf 1388 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[2-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCC=O O=C([R1])CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.8 3.8 1 linker/linker_530.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1389 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCOCCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[2-[2-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCC=O O=C([R1])CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.6 3.6 1 linker/linker_917.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1390 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCOCCOCCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[2-[2-[2-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 3 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5.3 5.3 1 linker/linker_730.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1391 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCOCCOCCOCCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[2-[2-[2-[2-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 4 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11.2 11.2 1 linker/linker_732.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1392 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCOCCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[2-[2-[2-[2-[2-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14 14.0 1 linker/linker_702.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1393 Q05397 Focal adhesion kinase FAK PTK2 FAK1 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <1/<1/<1 2 1.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1394 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <10 2 10.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1395 Q9UM73 Anaplastic lymphoma kinase G1202R ALK G1202R CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <100 21 100.0 21.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1396 Q14289 Protein-tyrosine kinase 2-beta PTK2B FAK2 PYK2 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <1 2 1.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1397 Q13882 Protein-tyrosine kinase 6 PTK6 BRK CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <1 2 1.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1398 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <100 42 100.0 42.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1399 P16591 Tyrosine-protein kinase Fer FER TYK3 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <10 2 10.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1400 Q15418 Ribosomal protein S6 kinase alpha-1 RPS6KA1 MAPKAPK1A RSK1 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[2-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 SIAIS164018 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <100/<100/<100 2 100.0 2.0 1 linker/linker_521.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1401 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 7 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCC=O O=C([R1])CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCC=O [R1]C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.6 9.6 1 linker/linker_522.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1402 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[4-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCC=O O=C([R1])CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.9 2.9 1 linker/linker_232.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1403 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[5-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-5-oxopentyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 9 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7.4 7.4 1 linker/linker_443.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1404 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCCCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[6-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 10 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3.3 3.3 1 linker/linker_255.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1405 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CP(C1=C(NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(C(CCCCCCNC6=CC=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC5)CC4)C=C3OC)=N2)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 4-[[7-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]-7-oxoheptyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCCC=O O=C([R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.8 4.8 1 linker/linker_256.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_7.sdf 1406 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(CCCCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O)N=N5 O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 5-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide 1 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(CCCCC=O)N=N1 O=C([R2])CCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 186 186.0 1 linker/linker_1436.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1407 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 8-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 2 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCC=O O=C([R2])CCCCCCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46 46.0 1 linker/linker_261.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1408 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 9-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonanamide 3 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCCC=O O=C([R2])CCCCCCCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16 16.0 1 linker/linker_1438.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1409 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 10-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide 4 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCCCC=O O=C([R2])CCCCCCCCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCCCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11 11.0 1 linker/linker_262.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1410 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCCCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 11-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]undecanamide 5 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCCCCC=O O=C([R2])CCCCCCCCCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCCCCCCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15 15.0 1 linker/linker_1440.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1411 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCOCCOCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide 6 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCOCCOCC=O O=C([R2])COCCOCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCOCCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 231 231.0 1 linker/linker_668.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1412 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCOCCOCCOCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide 7 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCOCCOCCOCC=O O=C([R2])COCCOCCOCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCOCCOCCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 278 278.0 1 linker/linker_669.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1413 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCOCCOCCOCCOCCOCC(NC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O O=C(/C=C/CN1CCCCC1)NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OCC1=CN(CCOCCOCCOCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)N=N1 (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide 8 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCOCCOCCOCCOCCOCC=O O=C([R2])COCCOCCOCCOCCOCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CC1=CN(CCOCCOCCOCCOCCOCC=O)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 318 318.0 1 linker/linker_1443.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_7.sdf 1414 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCC [R1]CC1=CN(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 162 162.0 1 linker/linker_1444.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1415 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCC [R1]CC1=CN(N=N1)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.95 36 7.95 36.0 1 linker/linker_1445.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1416 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCC [R1]CC1=CN(N=N1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 22 22.0 1 linker/linker_1446.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1417 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCCC [R1]CC1=CN(N=N1)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29 29.0 1 linker/linker_1447.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1418 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCCCCCCCCC [R1]CC1=CN(N=N1)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCCCCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.57 6 3.57 6.0 1 linker/linker_1448.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1419 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCOCCOCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCOCCOC [R1]CC1=CN(N=N1)CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 COCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200 200.0 1 linker/linker_1449.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1420 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(/C=C/CN1CCCCC1)NC(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C4)=C4OCC5=CN(N=N5)CCOCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 16 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(N=N1)CCOCCOCCOCCOCCOC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 COCCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 170 170.0 1 linker/linker_1450.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1421 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=C(OCC2=CN(CCOCCOCCOCC(N[C@H](C(N3C[C@@H](C[C@H]3C(NCC4=CC=C(C=C4)C5=C(N=CS5)C)=O)O)=O)C(C)(C)C)=O)N=N2)C=C(N=CN=C6NC7=CC(Cl)=C(F)C=C7)C6=C1)/C=C/CN8CCCCC8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(COC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 CC1=CN(CCOCCOCCOC)N=N1 [R1]CC1=CN(CCOCCOCCOC[R2])N=N1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 COCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 170 170.0 1 linker/linker_1451.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1422 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=C(OCCCCCC2=CN(CCOCCOCC(N[C@H](C(N3C[C@@H](C[C@H]3C(NCC4=CC=C(C=C4)C5=C(N=CS5)C)=O)O)=O)C(C)(C)C)=O)N=N2)C=C(N=CN=C6NC7=CC(Cl)=C(F)C=C7)C6=C1)/C=C/CN8CCCCC8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCCCCOC4=CC5=NC=NC(NC6=CC=C(F)C(Cl)=C6)=C5C=C4NC(=O)/C=C/CN4CCCCC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[5-[4-(3-chloro-4-fluoroanilino)-6-[[(E)-4-piperidin-1-ylbut-2-enoyl]amino]quinazolin-7-yl]oxypentyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 17 [R1]OC1=C(NC(/C=C/CN2CCCCC2)=O)C=C3C(N=CN=C3NC4=CC(Cl)=C(F)C=C4)=C1 COCCOCCN(N=N1)C=C1CCCCC [R1]CCCCCC1=CN(CCOCCOC[R2])N=N1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4 CCCCCC1=CN(CCOCCOC)N=N1 [R1]CCCCCC1=CN(N=N1)CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 36.51 4 36.51 4.0 1 linker/linker_1452.sdf warhead/warhead_1436.sdf e3_ligand/e3_ligand_27.sdf 1423 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 (JPS014) JPS014 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R2]CCCCCCCCOC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R1]COCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 640 640.0 1 linker/linker_1453.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_27.sdf 1424 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 (JPS014) JPS014 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R2]CCCCCCCCOC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R1]COCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 910 910.0 1 linker/linker_1453.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_27.sdf 1425 Q92769 Histone deacetylase 2 HDAC2 HD2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 (JPS014) JPS014 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R2]CCCCCCCCOC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCOC [R1]COCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4190 4190.0 0 linker/linker_1453.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_27.sdf 1426 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 (JPS016) JPS016 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N COCCCCCCCCCOC [R1]COCCCCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N COCCCCCCCCCOC [R1]COCCCCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 530 530.0 1 linker/linker_1456.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_27.sdf 1427 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCCCCOCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[9-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-2-oxoethoxy]nonoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 (JPS016) JPS016 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N COCCCCCCCCCOC [R1]COCCCCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N COCCCCCCCCCOC [R1]COCCCCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 550 550.0 1 linker/linker_1456.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_27.sdf 1428 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[[2-[12-[4-[(2-aminophenyl)carbamoyl]anilino]-12-oxododecoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide 21 (JPS035) JPS035 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 1380 1380.0 0 linker/linker_36.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_1429.sdf 1429 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCCCCCCCC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2N)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[[2-[12-[4-[(2-aminophenyl)carbamoyl]anilino]-12-oxododecoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide 21 (JPS035) JPS035 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 3580 3580.0 0 linker/linker_36.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_1429.sdf 1430 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=CC=C4N)C=C3)=C2)SC=N1 (2S,4R)-N-[[2-[12-[4-[(2-aminophenyl)carbamoyl]anilino]-12-oxododecoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 22 (JPS036) JPS036 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 440 440.0 1 linker/linker_36.sdf warhead/warhead_1453.sdf e3_ligand/e3_ligand_1.sdf 1431 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(NCCCCCCNCCOCCNC(COC3=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=CC=C3)=O)C=C(NCC6=CC=CC=C6)N2N=C1 CC(C)C1=C2N=C(NCCCCCCNCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C(NCC3=CC=CC=C3)N2N=C1 N-[2-[2-[6-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]hexylamino]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 5 CC(C1=C2N=C(NCCCCCCN[R1])C=C(NCC3=CC=CC=C3)N2N=C1)C CCOCCNC(CO)=O O=C(CO[R2])NCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCCCCCNC1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=C3)C(C)C CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1175.sdf warhead/warhead_1461.sdf e3_ligand/e3_ligand_16.sdf 1432 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(NCCCCCCNCCOCCOCCOCCNC(COC3=C(C(N(C4C(NC(CC4)=O)=O)C5=O)=O)C5=CC=C3)=O)C=C(NCC6=CC=CC=C6)N2N=C1 CC(C)C1=C2N=C(NCCCCCCNCCOCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C(NCC3=CC=CC=C3)N2N=C1 N-[2-[2-[2-[2-[6-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]hexylamino]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 6 CC(C1=C2N=C(NCCCCCCN[R1])C=C(NCC3=CC=CC=C3)N2N=C1)C CCOCCOCCOCCNC(CO)=O O=C(CO[R2])NCCOCCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCCCCCCNC1=NC2=C(C=NN2C(=C1)NCC3=CC=CC=C3)C(C)C CCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1462.sdf warhead/warhead_1461.sdf e3_ligand/e3_ligand_16.sdf 1433 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(OC3CCN(CCOCCNC(COC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)N=C(NCC7=C(N8C=CN=C8)C=CC=C7)N2N=C1 CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N3C=CN=C3)N2N=C1 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethyl]acetamide 7 CC(C1=C2N=C(OC3CCN([R1])CC3)N=C(NCC4=CC=CC=C4N5C=CN=C5)N2N=C1)C CCOCCNC(CO)=O O=C(CO[R2])NCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4N5C=CN=C5)C(C)C CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 15840/>20000/>20000 18613.33333333333 0 linker/linker_1175.sdf warhead/warhead_1463.sdf e3_ligand/e3_ligand_16.sdf 1434 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(COC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)N=C(NCC7=C(N8C=CN=C8)C=CC=C7)N2N=C1 CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N3C=CN=C3)N2N=C1 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[2-[4-[4-[(2-imidazol-1-ylphenyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide 8 CC(C1=C2N=C(OC3CCN([R1])CC3)N=C(NCC4=CC=CC=C4N5C=CN=C5)N2N=C1)C CCOCCOCCOCCNC(CO)=O O=C(CO[R2])NCCOCCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4N5C=CN=C5)C(C)C CCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/21540/>20000 20513.33333333333 0 linker/linker_1462.sdf warhead/warhead_1463.sdf e3_ligand/e3_ligand_16.sdf 1435 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(OC3CCN(CCOCCNC(COC4=C(C(N(C5C(NC(CC5)=O)=O)C6=O)=O)C6=CC=C4)=O)CC3)N=C(NCC7=C(N(C)C)C=CC=C7)N2N=C1 CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N(C)C)N2N=C1 N-[2-[2-[4-[4-[[2-(dimethylamino)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 9 CC(C1=C2N=C(N=C(N2N=C1)NCC3=C(C=CC=C3)N(C)C)OC4CCN(CC4)[R1])C CCOCCNC(CO)=O O=C(CO[R2])NCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4N(C)C)C(C)C CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1175.sdf warhead/warhead_1465.sdf e3_ligand/e3_ligand_16.sdf 1436 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(COC1=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=CC=C1)NCCOCCOCCOCCN4CCC(OC5=NC6=C(C(C)C)C=NN6C(NCC7=C(N(C)C)C=CC=C7)=N5)CC4 CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3N(C)C)N2N=C1 N-[2-[2-[2-[2-[4-[4-[[2-(dimethylamino)phenyl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 10 CC(C1=C2N=C(N=C(N2N=C1)NCC3=C(C=CC=C3)N(C)C)OC4CCN(CC4)[R1])C CCOCCOCCOCCNC(CO)=O O=C(CO[R2])NCCOCCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4N(C)C)C(C)C CCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1462.sdf warhead/warhead_1465.sdf e3_ligand/e3_ligand_16.sdf 1437 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C2N=C(OC3CCN(CCOCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)N=C(NCC7=CC=CC=C7)N2N=C1 CC(C)C1=C2N=C(OC3CCN(CCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3)N2N=C1 N-[2-[2-[4-[4-(benzylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 11 CC(C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3)OC4CCN(CC4)[R1])C CCOCCNC(CO)=O O=C(CO[R2])NCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4)C(C)C CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1175.sdf warhead/warhead_1467.sdf e3_ligand/e3_ligand_16.sdf 1438 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3)OC4CCN(CCOCCOCCOCCNC(COC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)CC4)C CC(C)C1=C2N=C(OC3CCN(CCOCCOCCOCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C(NCC3=CC=CC=C3)N2N=C1 N-[2-[2-[2-[2-[4-[4-(benzylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 12 CC(C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3)OC4CCN(CC4)[R1])C CCOCCOCCOCCNC(CO)=O O=C(CO[R2])NCCOCCOCCOCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)OC2=NC3=C(C=NN3C(=N2)NCC4=CC=CC=C4)C(C)C CCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/9880/>20000 16626.666666666668 0 linker/linker_1462.sdf warhead/warhead_1467.sdf e3_ligand/e3_ligand_16.sdf 1439 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(NCCCCCCN)C=C2NCC3=CC(CCCCCCNC(COC4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)=O)=CC=C3 CC(C)C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=CC(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N2N=C1 N-[6-[3-[[[5-(6-aminohexylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 13 CC(C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=CC([R1])=C3)N2N=C1)C CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)CNC2=CC(=NC3=C(C=NN23)C(C)C)NCCCCCCN CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 14600/11890/>20000 15496.666666666666 0 linker/linker_577.sdf warhead/warhead_1469.sdf e3_ligand/e3_ligand_16.sdf 1440 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(NCCCCCCN)C=C2NCC3=CC=C(CCCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)C=C3 CC(C)C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=C(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 N-[6-[4-[[[5-(6-aminohexylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 14 CC(C1=C2N=C(NCCCCCCN)C=C(NCC3=CC=C([R1])C=C3)N2N=C1)C CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=CC(=NC3=C(C=NN23)C(C)C)NCCCCCCN CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10320/12880/16600 13266.666666666666 0 linker/linker_577.sdf warhead/warhead_1470.sdf e3_ligand/e3_ligand_16.sdf 1441 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=C(N(C)C)C=C(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1 N-[6-[3-(dimethylamino)-4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 15 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=C([R1])C=C4)N2N=C1 CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C)N(C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5240/8390/5280 6303.333333333333 0 linker/linker_577.sdf warhead/warhead_1471.sdf e3_ligand/e3_ligand_16.sdf 1442 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)=CC=C4N(C)C CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC(CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC=C3N(C)C)N2N=C1 N-[6-[4-(dimethylamino)-3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide 16 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=CC([R1])=C4)N2N=C1 CCCCCCNC(CO)=O O=C(CO[R2])NCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)N(C)C)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17900/12590/12600 14363.333333333334 0 linker/linker_577.sdf warhead/warhead_1472.sdf e3_ligand/e3_ligand_16.sdf 1443 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=C(N(C)C)C=C(NC(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1 N-[3-(dimethylamino)-4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanamide 17 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=C([R1])C=C4)N2N=C1 NC(CCCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCCC(N[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C)N(C)C NC(=O)CCCCCCNC(=O)CO [R1]NC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/14300/>20000 18100.0 0 linker/linker_1473.sdf warhead/warhead_1471.sdf e3_ligand/e3_ligand_16.sdf 1444 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC(NC(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)=O)=CC=C4N(C)C CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=CC=C3N(C)C)N2N=C1 N-[4-(dimethylamino)-3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanamide 18 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=CC([R1])=C4)N2N=C1 NC(CCCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCCC(N[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)N(C)C)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCNC(=O)CO [R1]NC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/>20000/>20000 20000.0 0 linker/linker_1473.sdf warhead/warhead_1472.sdf e3_ligand/e3_ligand_16.sdf 1445 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=C(N(C)C)C=C(NC(CCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1 N-[3-(dimethylamino)-4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanamide 19 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=C([R1])C=C4)N2N=C1 NC(CCCCCC)=O O=C(CCCCCC[R2])N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C)N(C)C CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4890/2660/4260 3936.6666666666665 0 linker/linker_1177.sdf warhead/warhead_1471.sdf e3_ligand/e3_ligand_7.sdf 1446 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=C(N(C)C)C(CCCCCCCOC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=CC=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=CC(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3N(C)C)N2N=C1 4-[7-[2-(dimethylamino)-3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 20 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C([R1])=CC=C4)N2N=C1 CCCCCCCO [R2]OCCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=C(C(=CC=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C)N(C)C CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3450/2010/4160 3206.6666666666665 0 linker/linker_68.sdf warhead/warhead_1476.sdf e3_ligand/e3_ligand_16.sdf 1447 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=C(N(C)C)C=C(CCCCCCCOC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3N(C)C)N2N=C1 4-[7-[3-(dimethylamino)-4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=C(N(C)C)C=C([R1])C=C4)N2N=C1 CCCCCCCO [R2]OCCCCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C)N(C)C CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2870/4110/4160 3713.3333333333335 0 linker/linker_68.sdf warhead/warhead_1471.sdf e3_ligand/e3_ligand_16.sdf 1448 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC(NC(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)=O)=CC=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=CC(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)=C3)N2N=C1 7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[3-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 22 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=CC([R1])=C4)N2N=C1 NC(CCCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCCC(N[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCNC(=O)CO [R1]NC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >20000/12840/>20000 17613.333333333332 0 linker/linker_1473.sdf warhead/warhead_1478.sdf e3_ligand/e3_ligand_16.sdf 1449 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCNC(COC5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 23 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCNC(CO)=O)=O O=C(CO[R2])NCCCCCCC(N[R1])=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCNC(=O)CO [R1]NC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1450/1630/1550 1543.3333333333333 0 linker/linker_1473.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1450 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 24 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCC)=O O=C(CCCCCC[R2])N[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 660/550/530 580.0 1 linker/linker_1177.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_7.sdf 1451 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCOC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 25 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCO)=O O=C(CCCCCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCO [R1]NC(=O)CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 180/170/260 203.3333333333333 1 linker/linker_1481.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1452 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCOC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide 26 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCO)=O O=C(CCCCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCO [R1]NC(=O)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 560/640/950 716.6666666666666 1 linker/linker_1482.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1453 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(CCCCCCCOC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 2-(2,6-dioxopiperidin-3-yl)-4-[7-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptoxy]isoindole-1,3-dione 27 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3220/2060/4320 3200.0 0 linker/linker_68.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1454 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCCOC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]octanamide 28 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCCO)=O O=C(CCCCCCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCCO [R1]NC(=O)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 66/48/51 55.0 1 linker/linker_1484.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1455 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCCCOC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]nonanamide 29 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCCCO)=O O=C(CCCCCCCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCCCO [R1]NC(=O)CCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 120/120/130 123.33333333333331 1 linker/linker_1485.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1456 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(COCCOCCOC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)COCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetamide 30 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(COCCOCCO)=O O=C(COCCOCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)COCCOCCO [R1]NC(=O)COCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4590/3780/9200 5856.666666666667 0 linker/linker_1486.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1457 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(CCCOCCOCCOC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(CCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[3-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]propoxy]ethoxy]ethoxy]isoindole-1,3-dione 31 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 CCCOCCOCCO [R1]CCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCOCCOCCO [R1]CCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3370/1570/4450 3130.0 0 linker/linker_1487.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1458 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(COCCOCCOCCOC(C=CC=C56)=C6C(N(C5=O)C7C(NC(CC7)=O)=O)=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]acetamide 32 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(COCCOCCOCCO)=O O=C(COCCOCCOCCO[R2])N[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)COCCOCCOCCO [R1]NC(=O)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4370/4690/10310 6456.666666666667 0 linker/linker_1488.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_16.sdf 1459 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCCCCOC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 10-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]decanamide 33 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCCCCO)=O O=C(CCCCCCCCCO[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCCCCO [R1]NC(=O)CCCCCCCCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 184/35/137 118.66666666666669 1 linker/linker_1489.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1460 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCCCOC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]nonanamide 34 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCCCO)=O O=C(CCCCCCCCO[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCCCO [R1]NC(=O)CCCCCCCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 300/200/170 223.3333333333333 1 linker/linker_1485.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1461 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCCOC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]octanamide 35 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCCO)=O O=C(CCCCCCCO[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCCO [R1]NC(=O)CCCCCCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 104/40/72 72.0 1 linker/linker_1484.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1462 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCOC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 36 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCCO)=O O=C(CCCCCCO[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCCO [R1]NC(=O)CCCCCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 530/470/390 463.3333333333333 1 linker/linker_1481.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1463 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C1=C(N=C(N=C2NCC3=CC=C(C=C3)NC(CCCCCOC4=CC=CC5=C4CN(C6CCC(NC6=O)=O)C5=O)=O)OC7CCN(CC7)C)N2N=C1)C CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCOC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide 37 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCO)=O O=C(CCCCCO[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C NC(=O)CCCCCO [R1]NC(=O)CCCCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 470/370/570 470.0 1 linker/linker_1482.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1464 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC4=CC=C(NC(CCCCCCC5=C(CN(C6CCC(NC6=O)=O)C7=O)C7=CC=C5)=O)C=C4 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3)N2N=C1 7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]heptanamide 38 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCC)=O O=C(CCCCCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 130/230/200 186.66666666666663 1 linker/linker_1177.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1465 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC(C=C4)=CC=C4NC(CCCCCN5CCN(CCCCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC5)=O CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCN4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1 6-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]piperazin-1-yl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide 39 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCN1CCN(CC1)CCCCC)=O O=C(CCCCCN1CCN(CC1)CCCCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCN1CCN(CCCCCC(N)=O)CC1 [R1]NC(=O)CCCCCN1CCN(CC1)CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 222/80/251 184.3333333333333 1 linker/linker_1495.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1466 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC(C=C4)=CC=C4NC(CCCN5CCN(CCCCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC5)=O CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCN4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1 4-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]piperazin-1-yl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]butanamide 40 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCN1CCN(CC1)CCCCC)=O O=C(CCCN1CCN(CC1)CCCCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCN1CCN(CCCC(N)=O)CC1 [R1]NC(=O)CCCN1CCN(CC1)CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 340/190/460 330.0 1 linker/linker_1496.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1467 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC(C=C4)=CC=C4NC(CCCCCN5CCN(CCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC5)=O CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCCCN4CCN(CCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1 6-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]piperazin-1-yl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]hexanamide 41 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCCCN1CCN(CC1)CCC)=O O=C(CCCCCN1CCN(CC1)CCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCN1CCN(CCCCCC(N)=O)CC1 [R1]NC(=O)CCCCCN1CCN(CC1)CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 240/190/250 226.66666666666663 1 linker/linker_1497.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1468 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC(C=C4)=CC=C4NC(CCCN5CCN(CCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC5)=O CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)CCCN4CCN(CCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1 4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]piperazin-1-yl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]butanamide 42 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(CCCN1CCN(CC1)CCC)=O O=C(CCCN1CCN(CC1)CCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCN1CCN(CCCC(N)=O)CC1 [R1]NC(=O)CCCN1CCN(CC1)CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 590/580/900 690.0 1 linker/linker_1498.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1469 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(OC3CCN(C)CC3)N=C2NCC(C=C4)=CC=C4NC(N5CCN(CCCCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC5)=O CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC3=CC=C(NC(=O)N4CCN(CCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N2N=C1 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-N-[4-[[[2-(1-methylpiperidin-4-yl)oxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]piperazine-1-carboxamide 43 CC(C)C1=C2N=C(OC3CCN(C)CC3)N=C(NCC4=CC=C([R1])C=C4)N2N=C1 NC(N1CCN(CC1)CCCCC)=O O=C(N1CCN(CC1)CCCCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C CCCCCN1CCN(C(N)=O)CC1 [R1]NC(=O)N1CCN(CC1)CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 98/74/65 79.0 1 linker/linker_1499.sdf warhead/warhead_1479.sdf e3_ligand/e3_ligand_18.sdf 1470 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CC(C)C1=C(N2N=C1)N=C(N[C@@H](CC)CO)C=C2NCC3=CC=C(NC(N4CCN(CCCCCC5=C6C(C(N(C7CCC(NC7=O)=O)C6)=O)=CC=C5)CC4)=O)C=C3 CC[C@@H](CO)NC1=NC2=C(C(C)C)C=NN2C(NCC2=CC=C(NC(=O)N3CCN(CCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)=C1 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-N-[4-[[[5-[[(2S)-1-hydroxybutan-2-yl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]piperazine-1-carboxamide 45 OC[C@@H](NC1=NC2=C(C(C)C)C=NN2C(NCC3=CC=C([R1])C=C3)=C1)CC NC(N1CCN(CC1)CCCCC)=O O=C(N1CCN(CC1)CCCCC[R2])N[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)CNC2=CC(=NC3=C(C=NN23)C(C)C)N[C@@H](CC)CO CCCCCN1CCN(C(N)=O)CC1 [R1]NC(=O)N1CCN(CC1)CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 15/3.9/13.6 10.833333333333334 1 linker/linker_1499.sdf warhead/warhead_1500.sdf e3_ligand/e3_ligand_18.sdf 1471 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propylamino]benzamide 11 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCC [R2]CCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCN [R1]NCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1 1.0 1 linker/linker_1104.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1472 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butylamino]benzamide 12 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCC [R2]CCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCN [R1]NCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.1 1.1 1 linker/linker_808.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1473 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentylamino]benzamide 13 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCC [R2]CCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 0.2 1 linker/linker_188.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1474 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexylamino]benzamide 14 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCC [R2]CCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6 0.6 1 linker/linker_415.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1475 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptylamino]benzamide 15 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCCC [R2]CCCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCCN [R1]NCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.7 0.7 1 linker/linker_1319.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1476 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octylamino]benzamide 16 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCCCC [R2]CCCCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCCCN [R1]NCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.5 1.5 1 linker/linker_312.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1477 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]nonylamino]benzamide 17 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCCCCC [R2]CCCCCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCCCCN [R1]NCCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.2 3.2 1 linker/linker_1507.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1478 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C(C=C3)NCCCCCCCCCCNC4=CC5=C(C=C4)C(N(C5=O)C6C(NC(CC6)=O)=O)=O)=O)CC2)=C1)C#N N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]decylamino]benzamide 18 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCCCCCC [R2]CCCCCCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCCCCCN [R1]NCCCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1508.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1479 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(NCCCCCCCCCCCNC4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(NCCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]undecylamino]benzamide 19 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N NCCCCCCCCCCC [R2]CCCCCCCCCCCN[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCCCCCCCN [R1]NCCCCCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1509.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1480 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CCNC5=CC6=C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)C=C5)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]piperazin-1-yl]benzamide 20 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.8 0.8 1 linker/linker_1321.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1481 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CCCNC5=CC6=C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)C=C5)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]piperazin-1-yl]benzamide 21 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCN1CCNCC1 [R1]N1CCN(CC1)CCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.7 2.7 1 linker/linker_1322.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1482 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CCCCNC5=CC6=C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)C=C5)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]piperazin-1-yl]benzamide 22 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N CCCCN1CCNCC1 [R1]N1CCN(CC1)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCN1CCNCC1 [R1]N1CCN(CC1)CCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16.2 16.2 1 linker/linker_1323.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1483 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CCCCCNC5=CC6=C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)C=C5)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentyl]piperazin-1-yl]benzamide 23 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N CCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl CCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 0.9 1 linker/linker_1324.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_250.sdf 1484 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CC(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 24 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N N1(CC2CCNCC2)CCNCC1 [R1]N1CCN(CC1)CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 2.7 0.2 2.7 1 linker/linker_1235.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1485 P10275 Androgen receptor AR DHTR NR3C4 C1C2=C(C=CC=1N1CCC(CC1)CN1CCN(CC1)C1=CC=C(C(=O)N[C@H]3CC[C@H](OC4=CC(=C(C=C4)C#N)Cl)CC3)C=C1)C(=O)N(C1CCC(=O)NC1=O)C2=O N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide AR-PROTAC TJA-107 O=C(N[C@H]1CC[C@@H](CC1)OC2=CC(Cl)=C(C#N)C=C2)C3=CC=C([R1])C=C3 C1(CN2CCNCC2)CCNCC1 [R1]N(CC1)CCN1CC2CCN([R2])CC2 [R2]C1=CC2=C(C(N(C2=O)C3CCC(NC3=O)=O)=O)C=C1 CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 155.3 155.3 1 linker/linker_1235.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1486 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide 25 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N N1(C2CCNCC2)CCNCC1 [R1]N1CCN(CC1)C2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 7.9 0.3 7.9 1 linker/linker_1332.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1487 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 26 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 9.7 0.2 9.7 1 linker/linker_1332.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1488 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CC5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]benzamide 27 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N N1(CC2CNC2)CCNCC1 [R1]N1CCN(CC1)CC2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CN(CC2CNC2)CCN1 [R1]N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 6.7 0.3 6.7 1 linker/linker_1331.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1489 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazin-1-yl]benzamide 28 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N N1(C2CNC2)CCNCC1 [R1]N1CCN(CC1)C2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CN(C2CNC2)CCN1 [R1]N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 0.1 1 linker/linker_1330.sdf warhead/warhead_1501.sdf e3_ligand/e3_ligand_616.sdf 1490 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)C[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)C2)C=C1Cl N-[(1S,3S)-3-(3-chloro-4-cyanophenoxy)cyclopentyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 29 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)C2)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](C2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_1520.sdf e3_ligand/e3_ligand_616.sdf 1491 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CC2)CCC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@@H]2CCC[C@@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[(1R,4R)-4-(3-chloro-4-cyanophenoxy)cycloheptyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 30 ClC1=C(C=CC(O[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CCC2)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@@H]2CCC[C@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1332.sdf warhead/warhead_1521.sdf e3_ligand/e3_ligand_616.sdf 1492 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(O[C@@H](CCC2)CCC[C@@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(O[C@H]2CCC[C@@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CCC2)C=C1Cl N-[5-(3-chloro-4-cyanophenoxy)cyclooctyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 31 ClC1=C(C=CC(O[C@H]2CCC[C@@H](NC(C3=CC=C([R1])C=C3)=O)CCC2)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CCC[C@H](CCC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1332.sdf warhead/warhead_1522.sdf e3_ligand/e3_ligand_616.sdf 1493 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(OC2CCN(C(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)CC2)=C1 N#CC1=CC=C(OC2CCN(C(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl 2-chloro-4-[1-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzoyl]piperidin-4-yl]oxybenzonitrile 32 ClC1=C(C=CC(OC2CCN(CC2)C(C3=CC=C([R1])C=C3)=O)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_1523.sdf e3_ligand/e3_ligand_616.sdf 1494 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(OC2CCCN(C(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)CC2)=C1 N#CC1=CC=C(OC2CCCN(C(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl 2-chloro-4-[1-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzoyl]azepan-4-yl]oxybenzonitrile 33 ClC1=C(C=CC(OC2CCCN(CC2)C(C3=CC=C([R1])C=C3)=O)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCCC(CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_1524.sdf e3_ligand/e3_ligand_616.sdf 1495 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 N#CC1=CC=C(N[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanoanilino)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 34 ClC1=C(C=CC(N[C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)NC3=CC(=C(C=C3)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 16.6 0.3 16.6 1 linker/linker_1332.sdf warhead/warhead_1525.sdf e3_ligand/e3_ligand_616.sdf 1496 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 35 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.09 1.8 0.09 1.8 1 linker/linker_1332.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1497 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 35 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 15.3 0.3 15.3 1 linker/linker_1332.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1498 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(CC)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CCN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-ethylanilino)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 36 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)CC)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)CC C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 2.1 0.1 2.1 1 linker/linker_1332.sdf warhead/warhead_1528.sdf e3_ligand/e3_ligand_616.sdf 1499 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(CCC)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CCCN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-propylanilino)cyclohexyl]-4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidin-1-yl]benzamide 37 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)CCC)=C1)C#N C1(N2CCNCC2)CCNCC1 [R1]N1CCC(CC1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)CCC C1CC(N2CCNCC2)CCN1 [R1]N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.4 83.5 1.4 83.5 1 linker/linker_1332.sdf warhead/warhead_1529.sdf e3_ligand/e3_ligand_616.sdf 1500 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CC(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzamide 39 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(CC2CCNCC2)CCNCC1 [R1]N1CCN(CC1)CC2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.4 1.4 1 linker/linker_1235.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1501 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCC(CN(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide 40 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CC1)CN2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_1235.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1502 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide 41 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(C2CCNCC2)CCNCC1 [R1]N1CCN(CC1)C2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 0.8 0.1 0.8 1 linker/linker_1332.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1503 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzamide 41 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(C2CCNCC2)CCNCC1 [R1]N1CCN(CC1)C2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.4 22.3 0.4 22.3 1 linker/linker_1332.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1504 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CC5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]benzamide 42 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(CC2CNC2)CCNCC1 [R1]N1CCN(CC1)CC2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(CC2CNC2)CCN1 [R1]N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.01 1.1 0.01 1.1 1 linker/linker_1331.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1505 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(CC5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(CC4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]benzamide 42 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(CC2CNC2)CCNCC1 [R1]N1CCN(CC1)CC2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(CC2CNC2)CCN1 [R1]N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9 11.4 0.9 11.4 1 linker/linker_1331.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1506 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazin-1-yl]benzamide 43 ARD-2585 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(C2CNC2)CCNCC1 [R1]N1CCN(CC1)C2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(C2CNC2)CCN1 [R1]N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.04 1.5 0.04 1.5 1 linker/linker_1330.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1507 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CCN(C5CN(C5)C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)CC4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazin-1-yl]benzamide 43 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N N1(C2CNC2)CCNCC1 [R1]N1CCN(CC1)C2CN([R2])C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(C2CNC2)CCN1 [R1]N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 16.2 0.1 16.2 1 linker/linker_1330.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1508 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CC(CN(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)C4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidin-1-yl]benzamide 44 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(CN2CCNCC2)CNC1 [R1]N1CC(C1)CN2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(CC2CNC2)CCN1 [R1]N1CC(C1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 4.3 0.1 4.3 1 linker/linker_1331.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1509 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CC(CN(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)C4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(CN4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]azetidin-1-yl]benzamide 44 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(CN2CCNCC2)CNC1 [R1]N1CC(C1)CN2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(CC2CNC2)CCN1 [R1]N1CC(C1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.9 11.6 1.9 11.6 1 linker/linker_1331.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1510 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)C4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]azetidin-1-yl]benzamide 45 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(N2CCNCC2)CNC1 [R1]N1CC(C1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(C2CNC2)CCN1 [R1]N1CC(C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 5.1 0.2 5.1 1 linker/linker_1330.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1511 P10275 Androgen receptor T878A AR T878A ClC1=C(C#N)C=CC(N(C)[C@@H](CC2)CC[C@H]2NC(C3=CC=C(N4CC(N(CC5)CCN5C6=CC7=C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)C=C6)C4)C=C3)=O)=C1 CN(C1=CC=C(C#N)C(Cl)=C1)[C@H]1CC[C@H](NC(=O)C2=CC=C(N3CC(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)CC1 N-[4-(3-chloro-4-cyano-N-methylanilino)cyclohexyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]azetidin-1-yl]benzamide 45 ClC1=C(C=CC(N([C@H]2CC[C@H](NC(C3=CC=C([R1])C=C3)=O)CC2)C)=C1)C#N C1(N2CCNCC2)CNC1 [R1]N1CC(C1)N2CCN([R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)N(C3=CC(=C(C=C3)C#N)Cl)C C1CN(C2CNC2)CCN1 [R1]N1CC(C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.3 21.7 1.3 21.7 1 linker/linker_1330.sdf warhead/warhead_1526.sdf e3_ligand/e3_ligand_616.sdf 1512 P10275 Androgen receptor AR DHTR NR3C4 O=C(C(O)(C)CS(C1=CC=C(N2CCN(C(CC3)CCN3C4=CC5=C(C(N(C6C(NC(CC6)=O)=O)C5=O)=O)C=C4)CC2)C=C1)(=O)=O)NC7=CC(C(F)(F)F)=C(C#N)C=C7 CC(O)(CS(=O)(=O)C1=CC=C(N2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C(=O)NC1=CC=C(C#N)C(C(F)(F)F)=C1 N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]phenyl]sulfonyl-2-hydroxy-2-methylpropanamide 46 [R1]C1=CC=C(C=C1)S(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O N1(C2CCNCC2)CCNCC1 [R2]N1CCC(CC1)N2CCN([R1])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)CC(C)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_50.sdf e3_ligand/e3_ligand_616.sdf 1513 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=C(N4CCC(CC4)N5CCN(C(C(C(F)=C6)=CC=C6N7C(C)(C)C(N(C7=S)C8=CC(C(F)(F)F)=C(C#N)C=C8)=O)=O)CC5)C=C3)=O CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C(=O)N2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C(F)=C1 4-[3-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazine-1-carbonyl]-3-fluorophenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 47 S=C1N(C2=CC(F)=C(C([R1])=O)C=C2)C(C(N1C3=CC=C(C#N)C(C(F)(F)F)=C3)=O)(C)C N1(C2CCNCC2)CCNCC1 [R2]N1CCC(CC1)N2CCN([R1])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)F C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_1543.sdf e3_ligand/e3_ligand_616.sdf 1514 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=C(N4CCC(CC4)N5CCN(C(C(C(F)=C6)=CC=C6N7C8(CCC8)C(N(C7=S)C9=CC(C(F)(F)F)=C(C#N)N=C9)=O)=O)CC5)C=C3)=O N#CC1=NC=C(N2C(=O)C3(CCC3)N(C3=CC=C(C(=O)N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C(F)=C3)C2=S)C=C1C(F)(F)F 5-[5-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazine-1-carbonyl]-3-fluorophenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile 48 S=C1N(C2=CC(F)=C(C=C2)C([R1])=O)C3(CCC3)C(N1C4=CN=C(C#N)C(C(F)(F)F)=C4)=O N1(C2CCNCC2)CCNCC1 [R2]N1CCC(CC1)N2CCN([R1])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >1000 1000.0 1000.0 0 linker/linker_1332.sdf warhead/warhead_1544.sdf e3_ligand/e3_ligand_616.sdf 1515 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCNC(CN(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperazin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide 14 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCNC(C)=O O=C(C[R1])NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 121/106 74.4/81.8 78.1 113.5 1 linker/linker_212.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1516 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCCNC(CN(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperazin-1-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]acetamide 15 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCNC(C)=O O=C(C[R1])NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 77/97 38.3/75.7 57.0 87.0 0 linker/linker_65.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1517 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCCCCNC(CN(CC4)CCN4C5=CC(C6(C)C)=C(C=C5CC)C(C7=C6NC8=C7C=CC(C#N)=C8)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCN(CC(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperazin-1-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide 16 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCCNC(C)=O O=C(C[R1])NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC3=C(C=C2CC)C(=O)C4=C(C3(C)C)NC5=C4C=CC(=C5)C#N CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 116/114 51.3/75.8 63.55 115.0 0 linker/linker_804.sdf warhead/warhead_1251.sdf e3_ligand/e3_ligand_7.sdf 1518 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCNC(CN(CC4)CCN4C(CC5)CCN5C6=CC(C7(C)C)=C(C=C6CC)C(C8=C7NC9=C8C=CC(C#N)=C9)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]acetamide 22 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCNC(C)=O O=C(C[R1])NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 121/111 47.8/91 69.4 116.0 0 linker/linker_212.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1519 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCCNC(CN(CC4)CCN4C(CC5)CCN5C6=CC(C7(C)C)=C(C=C6CC)C(C8=C7NC9=C8C=CC(C#N)=C9)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]acetamide 23 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCNC(C)=O O=C(C[R1])NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 96/119 49.9/87 68.45 107.5 0 linker/linker_65.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1520 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C(C(CC1)N2C(C3=CC=CC(NCCCCCCNC(CN(CC4)CCN4C(CC5)CCN5C6=CC(C7(C)C)=C(C=C6CC)C(C8=C7NC9=C8C=CC(C#N)=C9)=O)=O)=C3C2=O)=O)NC1=O CCC1=CC2=C(C=C1N1CCC(N3CCN(CC(=O)NCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)C(C)(C)C1=C(C2=O)C2=CC=C(C#N)C=C2[NH]1 2-[4-[1-(3-cyano-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)piperidin-4-yl]piperazin-1-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]acetamide 24 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCCNC(C)=O O=C(C[R1])NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC4=C(C=C3CC)C(=O)C5=C(C4(C)C)NC6=C5C=CC(=C6)C#N CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 118/119 24.5/77.3 50.9 118.5 0 linker/linker_804.sdf warhead/warhead_1245.sdf e3_ligand/e3_ligand_7.sdf 1521 P31751 RAC-beta serine/threonine-protein kinase AKT2 PKB beta C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCNC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1 N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide 13 MS98 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])NCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 78 78.0 1 linker/linker_1008.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_23.sdf 1522 P31749 RAC-alpha serine/threonine-protein kinase AKT1 PKB RAC C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCNC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1 N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide 13 MS98 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])NCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 78 78.0 1 linker/linker_1008.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_23.sdf 1523 Q9Y243 RAC-gamma serine/threonine-protein kinase AKT3 PKBG PKB gamma C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCNC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NCCNC[C@@H](C(=O)N3CCN(C4=NC=NC5=C4[C@H](C)C[C@H]5O)CC3)C3=CC=C(Cl)C=C3)C(C)(C)C)C=C2)SC=N1 N-[2-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]ethyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide 13 MS98 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])NCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 78 78.0 1 linker/linker_1008.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_23.sdf 1524 P31751 RAC-beta serine/threonine-protein kinase AKT2 PKB beta C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCC(NCCCCCCCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21 3-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide 25 MS170 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCC(NCCCCCCCC)=O O=C(NCCCCCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 1 linker/linker_1122.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_7.sdf 1525 P31749 RAC-alpha serine/threonine-protein kinase AKT1 PKB RAC C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCC(NCCCCCCCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21 3-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide 25 MS170 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCC(NCCCCCCCC)=O O=C(NCCCCCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 1 linker/linker_1122.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_7.sdf 1526 Q9Y243 RAC-gamma serine/threonine-protein kinase AKT3 PKBG PKB gamma C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C([C@H](CNCCC(NCCCCCCCCNC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)C7=CC=C(Cl)C=C7)=O)CC3)=C21 C[C@@H]1C[C@@H](O)C2=NC=NC(N3CCN(C(=O)[C@H](CNCCC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C4=CC=C(Cl)C=C4)CC3)=C21 3-[[(2S)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]amino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]propanamide 25 MS170 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCC(NCCCCCCCC)=O O=C(NCCCCCCCC[R2])CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC[C@H](C1=CC=C(C=C1)Cl)C(=O)N2CCN(CC2)C3=NC=NC4=C3[C@@H](C[C@H]4O)C CCCCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 1 linker/linker_1122.sdf warhead/warhead_1551.sdf e3_ligand/e3_ligand_7.sdf 1527 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M COC1=CC(N(CCN(C)C)CCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP6 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 760 <20/<20 20.0 760.0 0 linker/linker_12.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1528 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 COC1=CC(N(CCN(C)C)CCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP6 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 75 28/34 31.0 75.0 0 linker/linker_12.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1529 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M COC1=CC(N(CCN(C)C)CCCCCCC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP7 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCCC(NCCOCCOC)=O O=C(NCCOCCOC[R2])CCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC(=O)NCCOCCOC [R1]CCCCCCC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 800 <20/<20 20.0 800.0 0 linker/linker_1569.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1530 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 COC1=CC(N(CCN(C)C)CCCCCCC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP7 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCCC(NCCOCCOC)=O O=C(NCCOCCOC[R2])CCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC(=O)NCCOCCOC [R1]CCCCCCC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 683 23/25 24.0 683.0 0 linker/linker_1569.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1531 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M COC1=CC(N(CCN(C)C)CCCCCCC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[7-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP8 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCCC(NCCCCCC)=O O=C(NCCCCCC[R2])CCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCNC(=O)CCCCCC [R1]CCCCCCC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 730 <20/<20 20.0 730.0 0 linker/linker_1571.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1532 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 COC1=CC(N(CCN(C)C)CCCCCCC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)=O)=C(NC(C=C)=O)C=C1NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(CCCCCCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)CCN(C)C (2S,4R)-1-[(2S)-2-[7-[7-[N-[2-(dimethylamino)ethyl]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]heptanoylamino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP8 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(C=C)=O)=C4)N([R1])CCN(C)C)OC)=NC=C3 CCCCCCC(NCCCCCC)=O O=C(NCCCCCC[R2])CCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(CCN(C)C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCNC(=O)CCCCCC [R1]CCCCCCC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 110 <20/<20 20.0 110.0 0 linker/linker_1571.sdf warhead/warhead_1567.sdf e3_ligand/e3_ligand_27.sdf 1533 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(C=C)=O)=C(N(C)CCN(C)CCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)C=C4OC)=NC=C3 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-4-hydroxy-1-[(2S)-2-[8-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-methylamino]octanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP9 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC [R2]CCCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 707 39/59 49.0 707.0 0 linker/linker_13.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_27.sdf 1534 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(C=C)=O)=C(N(C)CCN(C)CCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)C=C4OC)=NC=C3 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CCCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-4-hydroxy-1-[(2S)-2-[8-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-methylamino]octanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP9 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC [R2]CCCCCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 86 42/57 49.5 86.0 0 linker/linker_13.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_27.sdf 1535 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(C=C)=O)=C(N(C)CCN(C)CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)C=C4OC)=NC=C3 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[[2-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-methylamino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP10 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CC(NCCOCCOC)=O O=C(NCCOCCOC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC COCCOCCNC(C)=O [R1]CC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2370 2370.0 0 linker/linker_1575.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_27.sdf 1536 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(C=C)=O)=C(N(C)CCN(C)CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)C=C4OC)=NC=C3 C=CC(=O)NC1=CC(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)=C(OC)C=C1N(C)CCN(C)CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[[2-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-methylamino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP10 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC CC(NCCOCCOC)=O O=C(NCCOCCOC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC COCCOCCNC(C)=O [R1]CC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 768 768.0 1 linker/linker_1575.sdf warhead/warhead_801.sdf e3_ligand/e3_ligand_27.sdf 1537 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(/C(C#N)=C/C5CC5)=O)=C(N6CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)=O)=O)CC6)C=C4OC)=NC=C3 COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2CC2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[2-[[(E)-2-cyano-3-cyclopropylprop-2-enoyl]amino]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CRP1 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(/C(C#N)=C/C5CC5)=O)=C4)N6CCN([R1])CC6)OC)=NC=C3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2NC(=O)/C(=C/C3CC3)/C#N)NC4=NC=CC(=N4)C5=CN(C6=CC=CC=C65)C)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_804.sdf warhead/warhead_1577.sdf e3_ligand/e3_ligand_27.sdf 1538 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(/C(C#N)=C/C5CC5)=O)=C(N6CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)=O)=O)CC6)C=C4OC)=NC=C3 COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2CC2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[2-[[(E)-2-cyano-3-cyclopropylprop-2-enoyl]amino]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CRP1 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(/C(C#N)=C/C5CC5)=O)=C4)N6CCN([R1])CC6)OC)=NC=C3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2NC(=O)/C(=C/C3CC3)/C#N)NC4=NC=CC(=N4)C5=CN(C6=CC=CC=C65)C)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_804.sdf warhead/warhead_1577.sdf e3_ligand/e3_ligand_27.sdf 1539 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(/C(C#N)=C/C5=CC=NC=C5)=O)=C(N6CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)=O)=O)CC6)C=C4OC)=NC=C3 COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2=CC=NC=C2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[2-[[(E)-2-cyano-3-pyridin-4-ylprop-2-enoyl]amino]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CRP2 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(/C(C#N)=C/C5=CC=NC=C5)=O)=C4)N6CCN([R1])CC6)OC)=NC=C3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2NC(=O)/C(=C/C3=CC=NC=C3)/C#N)NC4=NC=CC(=N4)C5=CN(C6=CC=CC=C65)C)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_804.sdf warhead/warhead_1579.sdf e3_ligand/e3_ligand_27.sdf 1540 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 CN(C1=C2C=CC=C1)C=C2C3=NC(NC4=CC(NC(/C(C#N)=C/C5=CC=NC=C5)=O)=C(N6CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N7[C@H](C(NCC8=CC=C(C9=C(C)N=CS9)C=C8)=O)C[C@@H](O)C7)=O)=O)=O)CC6)C=C4OC)=NC=C3 COC1=CC(N2CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=C(NC(=O)/C(C#N)=C/C2=CC=NC=C2)C=C1NC1=NC=CC(C2=CN(C)C3=CC=CC=C23)=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[2-[[(E)-2-cyano-3-pyridin-4-ylprop-2-enoyl]amino]-5-methoxy-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CRP2 CN1C=C(C2=CC=CC=C21)C3=NC(NC4=C(C=C(C(NC(/C(C#N)=C/C5=CC=NC=C5)=O)=C4)N6CCN([R1])CC6)OC)=NC=C3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2NC(=O)/C(=C/C3=CC=NC=C3)/C#N)NC4=NC=CC(=N4)C5=CN(C6=CC=CC=C65)C)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_804.sdf warhead/warhead_1579.sdf e3_ligand/e3_ligand_27.sdf 1541 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCN(CC4)CCN4C(C=C5)=CC=C5NC6=NC=C7C(N([C@@H]8CN(C(C=C)=O)CC8)C(NC9=CC=CC=C9)=N7)=N6 C=CC(=O)N1CC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP11 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCN(C6)C(=O)C=C CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 44/2935 38/79 58.5 1489.5 0 linker/linker_12.sdf warhead/warhead_1585.sdf e3_ligand/e3_ligand_27.sdf 1542 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCN(CC4)CCN4C(C=C5)=CC=C5NC6=NC=C7C(N([C@@H]8CN(C(C=C)=O)CC8)C(NC9=CC=CC=C9)=N7)=N6 C=CC(=O)N1CC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP11 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCN(C6)C(=O)C=C CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.66/2935 65/81 73.0 1468.33 1 linker/linker_12.sdf warhead/warhead_1585.sdf e3_ligand/e3_ligand_27.sdf 1543 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCN(CC4)CCN4C(C=C5)=CC=C5NC6=NC=C7C(N([C@H]8CCCN(C(C=C)=O)C8)C(NC9=CC=CC=C9)=N7)=N6 C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP12 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40/414 49/69 59.0 227.0 0 linker/linker_12.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1544 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCN(CC4)CCN4C(C=C5)=CC=C5NC6=NC=C7C(N([C@H]8CCCN(C(C=C)=O)C8)C(NC9=CC=CC=C9)=N7)=N6 C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP12 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.67/414 62/70 66.0 207.835 0 linker/linker_12.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1545 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP13 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39/250 47/74 60.5 144.5 0 linker/linker_13.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1546 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP13 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2.55/250 69/78 73.5 126.275 1 linker/linker_13.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1547 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[6-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP14 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 250/>10000 <20/23 21.5 5125.0 0 linker/linker_1591.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1548 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[6-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP14 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 36.5/>10000 46/60 53.0 5018.25 0 linker/linker_1591.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1549 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP15 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 127/>10000 <20/<20 20.0 5063.5 0 linker/linker_804.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1550 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP15 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8.93/>10000 63/77 70.0 5004.465 1 linker/linker_804.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1551 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP16 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCOCCOC)=O O=C(NCCOCCOC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C COCCOCCNC(C)=O [R1]CC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 282/>10000 <20/<20 20.0 5141.0 0 linker/linker_1575.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1552 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide CP16 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CC(NCCOCCOC)=O O=C(NCCOCCOC[R2])C[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C COCCOCCNC(C)=O [R1]CC(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 59.61/>10000 50/57 53.5 5029.805 0 linker/linker_1575.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_27.sdf 1553 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide CP17 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.56 32/298/105 1.56 145.0 1 linker/linker_13.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_23.sdf 1554 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1)=O C=CC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-prop-2-enoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide CP17 [R1]N1CCN(C2=CC=C(NC3=NC=C4C(N(C(NC5=CC=CC=C5)=N4)[C@@H]6CN(CCC6)C(C=C)=O)=N3)C=C2)CC1 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)C=C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.49 1.6/298/105 0.49 134.86666666666667 1 linker/linker_13.sdf warhead/warhead_1587.sdf e3_ligand/e3_ligand_23.sdf 1555 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(CC)N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1 CCC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-propanoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide R1 O=C(N1CCC[C@@H](C1)N2C3=NC(NC4=CC=C(C=C4)N5CCN(CC5)[R1])=NC=C3N=C2NC6=CC=CC=C6)CC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)CC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2901 <20/<20 20.0 2901.0 0 linker/linker_13.sdf warhead/warhead_1599.sdf e3_ligand/e3_ligand_23.sdf 1556 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(CC)N1CCC[C@H](N2C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)C=C4)=NC=C3N=C2NC9=CC=CC=C9)C1 CCC(=O)N1CCC[C@H](N2C(NC3=CC=CC=C3)=NC3=CN=C(NC4=CC=C(N5CCN(CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)C=C4)N=C32)C1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[8-anilino-9-[(3S)-1-propanoylpiperidin-3-yl]purin-2-yl]amino]phenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide R1 O=C(N1CCC[C@@H](C1)N2C3=NC(NC4=CC=C(C=C4)N5CCN(CC5)[R1])=NC=C3N=C2NC6=CC=CC=C6)CC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C(=N4)NC5=CC=CC=C5)[C@H]6CCCN(C6)C(=O)CC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5.39 69/72 70.5 5.39 1 linker/linker_13.sdf warhead/warhead_1599.sdf e3_ligand/e3_ligand_23.sdf 1557 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[6-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9a CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5.8/30.4 18.1 0 linker/linker_2.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1558 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[7-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9b CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 216.4 30.7/79.9 216.4 55.3 1 linker/linker_12.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1559 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCCCCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[8-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9c CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 150.3 27.6/80.9 150.3 54.25 1 linker/linker_13.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1560 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCCCCCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[9-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9d CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98.4/255/119 525/218/307 157.46666666666667 350.0 1 linker/linker_33.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1561 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCCCCCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[9-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9d CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 104/125/22 115/199/232 83.66666666666667 182.0 1 linker/linker_33.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1562 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCCCCCCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[10-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9e CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 182.1 38.5/82 182.1 60.25 1 linker/linker_34.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1563 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[11-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9f CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.7/63.2 47.45 0 linker/linker_35.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1564 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[12-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9g CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 33/49 41.0 0 linker/linker_36.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1565 Q07889 Son of sevenless homolog 1 SOS1 O=C(COCCOCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9h CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F COCCOCC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23.3/24.4 23.85 0 linker/linker_243.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1566 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCOCCOCCN1CCN(C2=C3N=C(N(C3=CC(Cl)=C2)CC(C=C4C)=CC(C)=C4F)N5CC6(C5)CNC6)CC1)N[C@H](C(N(C7)[C@H](C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O)C[C@H]7O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[3-[2-[2-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9i CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.4/14 9.2 0 linker/linker_1.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1567 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCOCCOCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9j CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15.4/36.6 26.0 0 linker/linker_15.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1568 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCC(NCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[4-[3-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]propanoylamino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9k CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCC(NCCC)=O O=C(NCCC[R2])CC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCNC(=O)CC [R1]CCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/18.3 9.15 0 linker/linker_591.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1569 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCC(NCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[4-[4-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]butanoylamino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9l CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCC(NCCC)=O O=C(NCCC[R2])CCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCNC(=O)CCC [R1]CCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8/12.7 10.35 0 linker/linker_1613.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1570 Q07889 Son of sevenless homolog 1 SOS1 ClC1=CC(N2CCN(CCCCC(NCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=O)CC2)=C6C(N(CC7=CC(C)=C(F)C(C)=C7)C(N8CC9(CNC9)C8)=N6)=C1 CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CCCCC(=O)NCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[4-[5-[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]pentanoylamino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9m CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCCC(NCCC)=O O=C(NCCC[R2])CCCC[R1] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCCC(=O)NCCC [R1]CCCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.2/0 1.6 0 linker/linker_1614.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1571 Q07889 Son of sevenless homolog 1 SOS1 O=C(CN(CC1)CCC1CN2CCN(C3=C4N=C(N(C4=CC(Cl)=C3)CC(C=C5C)=CC(C)=C5F)N6CC7(C6)CNC7)CC2)N[C@H](C(N(C8)[C@H](C(N[C@H](C9=CC=C(C=C9)C%10=C(N=CS%10)C)C)=O)C[C@H]8O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[[2-[4-[[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9n CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CN1CCC(C)CC1 [R1]CC1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CC1CCN(C)CC1 [R1]CC1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13/43.3 28.15 0 linker/linker_1615.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1572 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCN(CC1)CCC1CN2CCN(C3=C4N=C(N(C4=CC(Cl)=C3)CC(C=C5C)=CC(C)=C5F)N6CC7(C6)CNC7)CC2)N[C@H](C(N(C8)[C@H](C(N[C@H](C9=CC=C(C=C9)C%10=C(N=CS%10)C)C)=O)C[C@H]8O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[3-[4-[[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9o CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCN1CCC(C)CC1 [R1]CC1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCN1CCC(C)CC1 [R1]CC1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18.1/9.4 13.75 0 linker/linker_1616.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1573 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCN(CC1)CCC1CN2CCN(C3=C4N=C(N(C4=CC(Cl)=C3)CC(C=C5C)=CC(C)=C5F)N6CC7(C6)CNC7)CC2)N[C@H](C(N(C8)[C@H](C(N[C@H](C9=CC=C(C=C9)C%10=C(N=CS%10)C)C)=O)C[C@H]8O)=O)C(C)(C)C CC1=CC(CN2C(N3CC4(CNC4)C3)=NC3=C(N4CCN(CC5CCN(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)C=C(Cl)C=C32)=CC(C)=C1F (2S,4R)-1-[(2S)-2-[4-[4-[[4-[6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9p CC1=CC(CN2C3=C(N=C2N4CC5(CNC5)C4)C(N6CCN([R1])CC6)=CC(Cl)=C3)=CC(C)=C1F CCCN1CCC(C)CC1 [R1]CC1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=CC3=C2N=C(N3CC4=CC(=C(C(=C4)C)F)C)N5CC6(C5)CNC6)Cl CCCN1CCC(C)CC1 [R1]CC1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7/11.2 9.1 0 linker/linker_1617.sdf warhead/warhead_1601.sdf e3_ligand/e3_ligand_23.sdf 1574 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7a O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33.33 33.33 1 linker/linker_7.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1575 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7a O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33.33 33.33 1 linker/linker_7.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1576 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7a O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33.33 33.33 1 linker/linker_7.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1577 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7b O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.3 24.3 1 linker/linker_12.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1578 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7b O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.3 24.3 1 linker/linker_12.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1579 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7b O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.3 24.3 1 linker/linker_12.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1580 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7c O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCC(NCCCC)=O O=C(NCCCC[R2])CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)CCCC [R1]CCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.67 24.67 1 linker/linker_1624.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1581 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7c O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCC(NCCCC)=O O=C(NCCCC[R2])CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)CCCC [R1]CCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.67 24.67 1 linker/linker_1624.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1582 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-5-oxopentyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7c O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCC(NCCCC)=O O=C(NCCCC[R2])CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)CCCC [R1]CCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.67 24.67 1 linker/linker_1624.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1583 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-6-oxohexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7d O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC(=O)NCCCC [R1]CCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 84.33 84.33 1 linker/linker_1627.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1584 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-6-oxohexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7d O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC(=O)NCCCC [R1]CCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 84.33 84.33 1 linker/linker_1627.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1585 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-6-oxohexyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7d O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCC(=O)NCCCC [R1]CCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 84.33 84.33 1 linker/linker_1627.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1586 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[7-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7e O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCCC(=O)NCCCC [R1]CCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.33 30.33 1 linker/linker_1630.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1587 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[7-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7e O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCCC(=O)NCCCC [R1]CCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.33 30.33 1 linker/linker_1630.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1588 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCCCCCCC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCCCCCCC(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C1=O N-[7-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-7-oxoheptyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7e O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CCCCCCC(NCCCC)=O O=C(NCCCC[R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCCCC(=O)NCCCC [R1]CCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.33 30.33 1 linker/linker_1630.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1589 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7f O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.33 12.33 1 linker/linker_1633.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1590 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7f O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.33 12.33 1 linker/linker_1633.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1591 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 7f O=C(C(N1)=CC(C(C2=CC=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)N[R1] CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.33 12.33 1 linker/linker_1633.sdf warhead/warhead_1618.sdf e3_ligand/e3_ligand_7.sdf 1592 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13a O=C(N[R1])C1=CC(C(C2=CC=CC=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 863.33 863.33 1 linker/linker_1633.sdf warhead/warhead_1636.sdf e3_ligand/e3_ligand_7.sdf 1593 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13a O=C(N[R1])C1=CC(C(C2=CC=CC=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 863.33 863.33 1 linker/linker_1633.sdf warhead/warhead_1636.sdf e3_ligand/e3_ligand_7.sdf 1594 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-phenyl-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13a O=C(N[R1])C1=CC(C(C2=CC=CC=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 863.33 863.33 1 linker/linker_1633.sdf warhead/warhead_1636.sdf e3_ligand/e3_ligand_7.sdf 1595 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC(C(C)(O)C)=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13b O=C(N[R1])C1=CC(C(C2=CC=CC(C(O)(C)C)=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC(=CC=C3)C(C)(C)O)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4127.33 4127.33 0 linker/linker_1633.sdf warhead/warhead_1639.sdf e3_ligand/e3_ligand_7.sdf 1596 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC(C(C)(O)C)=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13b O=C(N[R1])C1=CC(C(C2=CC=CC(C(O)(C)C)=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC(=CC=C3)C(C)(C)O)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4127.33 4127.33 0 linker/linker_1633.sdf warhead/warhead_1639.sdf e3_ligand/e3_ligand_7.sdf 1597 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC(C(C)(O)C)=C2)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CN1C=C(C2=CC=CC(C(C)(C)O)=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[3-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13b O=C(N[R1])C1=CC(C(C2=CC=CC(C(O)(C)C)=C2)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC(=CC=C3)C(C)(C)O)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4127.33 4127.33 0 linker/linker_1633.sdf warhead/warhead_1639.sdf e3_ligand/e3_ligand_7.sdf 1598 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13c O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43.67 43.67 1 linker/linker_1633.sdf warhead/warhead_1642.sdf e3_ligand/e3_ligand_7.sdf 1599 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13c O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43.67 43.67 1 linker/linker_1633.sdf warhead/warhead_1642.sdf e3_ligand/e3_ligand_7.sdf 1600 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=CC=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13c O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43.67 43.67 1 linker/linker_1633.sdf warhead/warhead_1642.sdf e3_ligand/e3_ligand_7.sdf 1601 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-(2-cyclopropyloxyphenyl)-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13d O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.67 45.67 1 linker/linker_1633.sdf warhead/warhead_1645.sdf e3_ligand/e3_ligand_7.sdf 1602 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-(2-cyclopropyloxyphenyl)-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13d O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.67 45.67 1 linker/linker_1633.sdf warhead/warhead_1645.sdf e3_ligand/e3_ligand_7.sdf 1603 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-(2-cyclopropyloxyphenyl)-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13d O=C(N[R1])C1=CC(C(C2=CC=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=CC=CC=C3OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.67 45.67 1 linker/linker_1633.sdf warhead/warhead_1645.sdf e3_ligand/e3_ligand_7.sdf 1604 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13e O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 27 27.0 1 linker/linker_1633.sdf warhead/warhead_1648.sdf e3_ligand/e3_ligand_7.sdf 1605 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13e O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 27 27.0 1 linker/linker_1633.sdf warhead/warhead_1648.sdf e3_ligand/e3_ligand_7.sdf 1606 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 C=C(C)C1=CC=C(OC(C)C)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-propan-2-yloxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13e O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 27 27.0 1 linker/linker_1633.sdf warhead/warhead_1648.sdf e3_ligand/e3_ligand_7.sdf 1607 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13f O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 18.67 18.67 1 linker/linker_1633.sdf warhead/warhead_1651.sdf e3_ligand/e3_ligand_7.sdf 1608 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13f O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 18.67 18.67 1 linker/linker_1633.sdf warhead/warhead_1651.sdf e3_ligand/e3_ligand_7.sdf 1609 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 C=C(C)C1=CC=C(OC2=CC=CC=C2)C(C2=CN(C)C(=O)C3=C2C=C(C(=O)NCC2=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C2)[NH]3)=C1 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-4-(2-phenoxy-5-prop-1-en-2-ylphenyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13f O=C(N[R1])C1=CC(C(C2=CC(C(C)=C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(=C)C)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 18.67 18.67 1 linker/linker_1633.sdf warhead/warhead_1651.sdf e3_ligand/e3_ligand_7.sdf 1610 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13g O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.33 10.33 1 linker/linker_1633.sdf warhead/warhead_1654.sdf e3_ligand/e3_ligand_7.sdf 1611 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13g O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.33 10.33 1 linker/linker_1633.sdf warhead/warhead_1654.sdf e3_ligand/e3_ligand_7.sdf 1612 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC(C)C)=CN3C)=C1C3=O)NCC4=CC=C(C(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)C=C4 CC(C)OC1=CC=C(C(C)(C)O)C=C1C1=CN(C)C(=O)C2=C1C=C(C(=O)NCC1=CC=C(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)[NH]2 N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-propan-2-yloxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13g O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC(C)C)=CN3C)=C(C3=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC(C)C)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.33 10.33 1 linker/linker_1633.sdf warhead/warhead_1654.sdf e3_ligand/e3_ligand_7.sdf 1613 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13h O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8 8.0 1 linker/linker_1633.sdf warhead/warhead_1657.sdf e3_ligand/e3_ligand_7.sdf 1614 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13h O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8 8.0 1 linker/linker_1633.sdf warhead/warhead_1657.sdf e3_ligand/e3_ligand_7.sdf 1615 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3CC3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2CC2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O 4-[2-cyclopropyloxy-5-(2-hydroxypropan-2-yl)phenyl]-N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13h O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3CC3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4CC4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8 8.0 1 linker/linker_1633.sdf warhead/warhead_1657.sdf e3_ligand/e3_ligand_7.sdf 1616 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13i O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.67 10.67 1 linker/linker_1633.sdf warhead/warhead_1660.sdf e3_ligand/e3_ligand_7.sdf 1617 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13i O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.67 10.67 1 linker/linker_1633.sdf warhead/warhead_1660.sdf e3_ligand/e3_ligand_7.sdf 1618 Q15059 Bromodomain-containing protein 3 BRD3 RING3L O=C(C(N1)=CC(C(C2=CC(C(C)(O)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C1C4=O)NCC5=CC=C(C(NCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5 CN1C=C(C2=CC(C(C)(C)O)=CC=C2OC2=CC=CC=C2)C2=C([NH]C(C(=O)NCC3=CC=C(C(=O)NCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)=C2)C1=O N-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methyl]-4-[5-(2-hydroxypropan-2-yl)-2-phenoxyphenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide 13i O=C(N[R1])C1=CC(C(C2=CC(C(O)(C)C)=CC=C2OC3=CC=CC=C3)=CN4C)=C(C4=O)N1 CC1=CC=C(C=C1)C(NCCCC)=O O=C(NCCCC[R2])C(C=C1)=CC=C1C[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=CC=CC=C4)C CCCCNC(=O)C1=CC=C(C)C=C1 [R1]CC1=CC=C(C=C1)C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.67 10.67 1 linker/linker_1633.sdf warhead/warhead_1660.sdf e3_ligand/e3_ligand_7.sdf 1619 P14679 Tyrosinase TYR LB24-AB SK29-AB OC1=C(O)C=CC(C[C@H](N)C(NCCCCCNC2=C(C(N(C3C(NC(CC3)=O)=O)C4=O)=O)C4=CC=C2)=O)=C1 N[C@@H](CC1=CC=C(O)C(O)=C1)C(=O)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O (2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]propanamide TD9 O=C([R1])[C@@H](N)CC1=CC(O)=C(O)C=C1 NCCCCC [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)[C@H](CC1=CC(=C(C=C1)O)O)N CCCCCN [R1]NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50000 50000.0 0 linker/linker_188.sdf warhead/warhead_1663.sdf e3_ligand/e3_ligand_7.sdf 1620 P24941 Cyclin-dependent kinase 2 CDK2 CDKN2 O=C([C@H]1N(C([C@@H](NC(COCCN2N=NC(CCCS(=O)(C3=CC=C(NC4=NC=CC(C5=CN=C(C)N5C(C)C)=N4)C=C3)=O)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3C=C(CCCS(=O)(=O)C4=CC=C(NC5=NC=CC(C6=CN=C(C)N6C(C)C)=N5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[3-[4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]sulfonylpropyl]triazol-1-yl]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-8 CC1=NC=C(C2=NC(NC3=CC=C(S(=O)([R1])=O)C=C3)=NC=C2)N1C(C)C COCCN1N=NC(CCC)=C1 [R1]CCCC1=CN(N=N1)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]S(=O)(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C(N3C(C)C)C CCCC1=CN(CCOC)N=N1 [R1]CCCC1=CN(N=N1)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 100 100.0 1 linker/linker_1664.sdf warhead/warhead_1664.sdf e3_ligand/e3_ligand_27.sdf 1621 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]piperidin-4-yl]-3-methoxybenzamide 11a CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCO [R1]CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCO [R1]CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21 21.0 1 linker/linker_1665.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1622 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexyl]piperidin-4-yl]-3-methoxybenzamide 11b CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCO [R1]CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCO [R1]CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 184 184.0 1 linker/linker_1666.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1623 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]piperidin-4-yl]-3-methoxybenzamide 11c(WWL0202) WWL0202 CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCCO [R1]CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8/32.1/64.2 34.76666666666667 1 linker/linker_68.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1624 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]piperidin-4-yl]-3-methoxybenzamide 11d CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCCCO [R1]CCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCCCO [R1]CCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 85 85.0 1 linker/linker_1668.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1625 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonyl]piperidin-4-yl]-3-methoxybenzamide 11e CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCCCCO [R1]CCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCCCCO [R1]CCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36 36.0 1 linker/linker_632.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1626 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxydecyl]piperidin-4-yl]-3-methoxybenzamide 11f CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCCCCCO [R1]CCCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCCCCCO [R1]CCCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 153 153.0 1 linker/linker_1670.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1627 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCCCCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[11-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyundecyl]piperidin-4-yl]-3-methoxybenzamide 11g CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCCCCCCCO [R1]CCCCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCCCCCCCO [R1]CCCCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 188 188.0 1 linker/linker_1671.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1628 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)CCCCNC(COC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(CCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]piperidin-4-yl]-3-methoxybenzamide 11h CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCNC(CO)=O O=C(NCCCC[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCNC(=O)CO [R1]CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 359 359.0 1 linker/linker_62.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1629 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(COC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]-3-methoxybenzamide 12a(WWL0245) WWL0245 CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCO O=C([R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <1/<1 3/20.8/52.9 1.0 25.566666666666663 1 linker/linker_1673.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1630 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanoyl]piperidin-4-yl]-3-methoxybenzamide 12b CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCCCO O=C([R1])CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18 18.0 1 linker/linker_824.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1631 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoyl]piperidin-4-yl]-3-methoxybenzamide 12c CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCCCCO O=C([R1])CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCCCCO [R1]C(=O)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13 13.0 1 linker/linker_825.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1632 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexanoyl]piperidin-4-yl]-3-methoxybenzamide 12d CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCCCCCO O=C([R1])CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7 7.0 1 linker/linker_826.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1633 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCCCOC5=C(C6=O)C(C(N6C(CCC7=O)C(N7)=O)=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptanoyl]piperidin-4-yl]-3-methoxybenzamide 12e CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCCCCCCO O=C([R1])CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCCCCCCO [R1]C(=O)CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_827.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_16.sdf 1634 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CNC5=C(CN6C(CCC7=O)C(N7)=O)C(C6=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]piperidin-4-yl]-3-methoxybenzamide 13a CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CC=O O=C([R1])C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 18 18.0 1 linker/linker_521.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_17.sdf 1635 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCNC5=C(CN6C(CCC7=O)C(N7)=O)C(C6=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanoyl]piperidin-4-yl]-3-methoxybenzamide 13b CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCC=O O=C([R1])CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 753 753.0 1 linker/linker_443.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_17.sdf 1636 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCCNC5=C(CN6C(CCC7=O)C(N7)=O)C(C6=O)=CC=C5)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanoyl]piperidin-4-yl]-3-methoxybenzamide 13c CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC CCCCCC=O O=C([R1])CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_255.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_17.sdf 1637 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C2=CN=C(NC3=CC=C(C=C3OC)C(NC4CCN(CC4)C(CCCCCCC(NC5=C(CN6C(CCC7=O)C(N7)=O)C(C6=O)=CC=C5)=O)=O)=O)N=C2N8CC9CCCCC9)=NN=C1[C@H]8CC CC[C@@H]1C2=NN=C(C)N2C2=CN=C(NC3=CC=C(C(=O)NC4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)N=C2N1CC1CCCCC1 4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-[1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-8-oxooctanoyl]piperidin-4-yl]-3-methoxybenzamide 13d CC1=NN=C([C@H]2CC)N1C3=CN=C(N=C3N2CC4CCCCC4)NC5=CC=C(C(NC6CCN([R1])CC6)=O)C=C5OC O=CCCCCCCC=O O=C([R1])CCCCCCC([R2])=O [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N([C@@H](C5=NN=C(N45)C)CC)CC6CCCCC6)OC O=CCCCCCCC=O [R1]C(=O)CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 671 671.0 1 linker/linker_1681.sdf warhead/warhead_1665.sdf e3_ligand/e3_ligand_17.sdf 1638 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCCCCCCCCNC1=C(F)C=C2C(NC(CNC3=C4N=CN(C(C)C)C4=NC(N5CCOCC5)=N3)=N2)=C1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O CC(C)N1C=NC2=C(NCC3=NC4=CC(F)=C(NCCCCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4[NH]3)N=C(N3CCOCC3)N=C21 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[8-[[6-fluoro-2-[[(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)amino]methyl]-3H-benzimidazol-5-yl]amino]octyl]acetamide PP-C8 PP-C8 FC1=C([R1])C=C(NC(CNC2=C3N=CN(C3=NC(N4CCOCC4)=N2)C(C)C)=N5)C5=C1 O=C(CO)NCCCCCCCCN O=C(CO[R2])NCCCCCCCCN[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC2=C(C=C1F)N=C(N2)CNC3=C4C(=NC(=N3)N5CCOCC5)N(C=N4)C(C)C NCCCCCCCCNC(=O)CO [R1]NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 416/412 414.0 1 linker/linker_308.sdf warhead/warhead_1682.sdf e3_ligand/e3_ligand_16.sdf 1639 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCNC(CNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 19a NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CC(=O)NCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5/0 2.5 0 linker/linker_1683.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_17.sdf 1640 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCNC(CNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 19a NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCN(N=N1)C=C1C[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CC(=O)NCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5/0 2.5 0 linker/linker_1683.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_17.sdf 1641 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCC3=CN(CCOCCOCCOCCNC(CNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O)N=N3 COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide 19b COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCC1=CN(N=N1)CCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCN(N=N1)C=C1CCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCC1=CN(CCOCCOCCOCCNC(C)=O)N=N1 [R1]CCCC1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5/<5 5.0 0 linker/linker_1685.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_17.sdf 1642 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCC3=CN(CCOCCOCCOCCNC(CNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O)N=N3 COC1=CC=C(C2=C(C(=O)NCCCC3=CN(CCOCCOCCOCCNC(=O)CNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[1-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propyl]-1,3-oxazole-4-carboxamide 19b COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCC1=CN(N=N1)CCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCN(N=N1)C=C1CCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCC1=CN(CCOCCOCCOCCNC(C)=O)N=N1 [R1]CCCC1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5/35.8 20.4 0 linker/linker_1685.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_17.sdf 1643 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(COCCOCCOCCOC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 25 COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(COCCOCCOCCO)=C1 [R1]CCCN1N=NC(COCCOCCOCCO[R2])=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCN1C=C(COCCOCCOCCO)N=N1 [R1]CCCN1C=C(N=N1)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 38.7/76.4 57.55 0 linker/linker_1687.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_16.sdf 1644 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(COCCOCCOCCOC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 25 COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(COCCOCCOCCO)=C1 [R1]CCCN1N=NC(COCCOCCOCCO[R2])=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCN1C=C(COCCOCCOCCO)N=N1 [R1]CCCN1C=C(N=N1)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 14.5/37.3 25.9 0 linker/linker_1687.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_16.sdf 1645 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(CCCCC(N[C@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(CCCCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[5-[[(2R)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 30a COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(CCCC)=C1 [R1]CCCN1N=NC(CCCC[R2])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCCC1=CN(CCC)N=N1 [R1]CCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5 5.0 0 linker/linker_1689.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_27.sdf 1646 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(CCCCC(N[C@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(CCCCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[5-[[(2R)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 30a COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(CCCC)=C1 [R1]CCCN1N=NC(CCCC[R2])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCCC1=CN(CCC)N=N1 [R1]CCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5 5.0 0 linker/linker_1689.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_27.sdf 1647 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(COCCOCCOCCOCC(N[C@@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[2-[2-[2-[2-[[(2R)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 30b COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(COCCOCCOCCOC)=C1 [R1]CCCN1N=NC(COCCOCCOCCOC[R2])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCN1C=C(COCCOCCOCCOC)N=N1 [R1]CCCN1C=C(N=N1)COCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5 5.0 0 linker/linker_1691.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_27.sdf 1648 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=C(C2=CC=C(OC)C(Cl)=C2)OC=N1)NCCCN3N=NC(COCCOCCOCCOCC(N[C@@H](C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)C(C)(C)C)=O)=C3 COC1=CC=C(C2=C(C(=O)NCCCN3C=C(COCCOCCOCCOCC(=O)N[C@@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)N=N3)N=CO2)C=C1Cl 5-(3-chloro-4-methoxyphenyl)-N-[3-[4-[2-[2-[2-[2-[[(2R)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]propyl]-1,3-oxazole-4-carboxamide 30b COC1=C(C=C(C=C1)C2=C(C(N[R1])=O)N=CO2)Cl CCCN1N=NC(COCCOCCOCCOC)=C1 [R1]CCCN1N=NC(COCCOCCOCCOC[R2])=C1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]NC(=O)C1=C(OC=N1)C2=CC(=C(C=C2)OC)Cl CCCN1C=C(COCCOCCOCCOC)N=N1 [R1]CCCN1C=C(N=N1)COCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5 5.0 0 linker/linker_1691.sdf warhead/warhead_1685.sdf e3_ligand/e3_ligand_27.sdf 1649 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34a NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46.9/68.9 57.900000000000006 0 linker/linker_213.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1650 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34a NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.5/39.6 35.05 0 linker/linker_213.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1651 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34b NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.4/75.6 60.5 0 linker/linker_359.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1652 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34b NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29.9/46.6 38.25 0 linker/linker_359.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1653 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34c NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42.0/79.5 60.75 0 linker/linker_361.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1654 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34c NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.7/65 45.35 0 linker/linker_361.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1655 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34d NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 47.4/77.2 62.3 0 linker/linker_1699.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1656 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34d NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.9/63.8 46.35 0 linker/linker_1699.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1657 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34e NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29.7/75.4 52.55 0 linker/linker_1701.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1658 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34e NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15.2/61.3 38.25 0 linker/linker_1701.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1659 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34f NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCC [R2]CCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 61.1/95.2 78.15 1 linker/linker_1703.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1660 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34f NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCC [R2]CCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 41.9/79.5 60.7 0 linker/linker_1703.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1661 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34g NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCC [R2]CCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 65.0/90.7 77.85 1 linker/linker_1705.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1662 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34g NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCC [R2]CCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51.6/79.1 65.35 0 linker/linker_1705.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1663 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34h NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 63.8/91.8 77.8 1 linker/linker_1707.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1664 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34h NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 55.9/83.1 69.5 0 linker/linker_1707.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1665 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34i NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 68.1/87.8 77.94999999999999 1 linker/linker_1709.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1666 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34i NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 61.6/81.3 71.45 1 linker/linker_1709.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1667 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34j NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 66.3/93.9 80.1 1 linker/linker_1711.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1668 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[2-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]ethyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34j NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCOCCN(N=N1)C=C1CC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCOCCOCCOCCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 55.9/86 70.95 1 linker/linker_1711.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1669 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34k NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCC [R2]CCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 70.9/95.1 83.0 1 linker/linker_703.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1670 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34k NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCC [R2]CCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38.2/88.3 63.25 0 linker/linker_703.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1671 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34l NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCC [R2]CCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 69.3/93.8 81.55 1 linker/linker_1715.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1672 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34l NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCC [R2]CCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 54.6/89.7 72.15 1 linker/linker_1715.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1673 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34m NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 110.1 110.1 1 linker/linker_1717.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1674 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34m NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38.2 38.2 1 linker/linker_1717.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1675 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34n PT-65 NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.3 28.3 1 linker/linker_1719.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1676 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34n PT-65 NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34.2 34.2 1 linker/linker_1719.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1677 P49840 Glycogen synthase kinase-3 alpha GSK3A O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34o NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 40.4 40.4 1 linker/linker_1721.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1678 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(C1=NC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=CN=C1N)NC8=CC=CN=C8 NC1=NC=C(C2=CC=C(S(=O)(=O)N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)C=C2)N=C1C(=O)NC1=CC=CN=C1 3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide 34o NC1=NC=C(C2=CC=C(S(=O)(N3CCN([R1])CC3)=O)C=C2)N=C1C(NC4=CN=CC=C4)=O CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC [R2]CCOCCOCCOCCOCCOCCOCCN(N=N1)C=C1CCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CN=C(C(=N3)C(=O)NC4=CN=CC=C4)N CCCCC1=CN(CCOCCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 66.6 66.6 1 linker/linker_1721.sdf warhead/warhead_1683.sdf e3_ligand/e3_ligand_7.sdf 1679 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C(C3=CC=CC=C3)C=C2)C(N)=N1)CCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O NC1=NC(NCCNC(=O)CCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[2-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butanamide 13 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 CCCC(NCC)=O O=C(NCC[R1])CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCC(=O)NCC [R1]CCNC(=O)CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >60000/>60000 60000.0 0 linker/linker_1723.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1680 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C(C3=CC=CC=C3)C=C2)C(N)=N1)CCCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O NC1=NC(NCCNC(=O)CCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[2-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]ethyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanamide 14 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 CCCCC(NCC)=O O=C(NCC[R1])CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCC(=O)NCC [R1]CCNC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 52250/>60000 56125.0 0 linker/linker_1004.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1681 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C(C3=CC=CC=C3)C=C2)C(N)=N1)CCCCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O NC1=NC(NCCNC(=O)CCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[2-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]ethyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide 15 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 CCCCCC(NCC)=O O=C(NCC[R1])CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCC(=O)NCC [R1]CCNC(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 31720/27850 29785.0 0 linker/linker_1725.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1682 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C(C3=CC=CC=C3)C=C2)C(N)=N1)CCCCCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O NC1=NC(NCCNC(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[2-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]ethyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanamide 16 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 CCCCCCC(NCC)=O O=C(NCC[R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >60000/>60000 60000.0 0 linker/linker_1005.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1683 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C(C3=CC=CC=C3)C=C2)C(N)=N1)CCCCCCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O NC1=NC(NCCNC(=O)CCCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[2-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]ethyl]-8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanamide 17 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 CCCCCCCC(NCC)=O O=C(NCC[R1])CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 34740/19480 27110.0 0 linker/linker_1727.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1684 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C(C4=CC=CC=C4)C=C3)C(N)=N2)C=C1)CCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NC2=CC=C(CNC(=O)CCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[[4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butanamide 18 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 O=C(CCC)NCC1=CC=CC=C1 O=C(CCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 47990/>60000 53995.0 0 linker/linker_1728.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1685 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C(C4=CC=CC=C4)C=C3)C(N)=N2)C=C1)CCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NC2=CC=C(CNC(=O)CCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[[4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanamide 19 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 O=C(CCCC)NCC1=CC=CC=C1 O=C(CCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 35730/54210 44970.0 0 linker/linker_1729.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1686 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C(C4=CC=CC=C4)C=C3)C(N)=N2)C=C1)CCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[[4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide 20 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 O=C(CCCCC)NCC1=CC=CC=C1 O=C(CCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 6230/2060 4145.0 0 linker/linker_1730.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1687 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C(C4=CC=CC=C4)C=C3)C(N)=N2)C=C1)CCCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[[4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanamide 21 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 O=C(CCCCCC)NCC1=CC=CC=C1 O=C(CCCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 28530/24620 26575.0 0 linker/linker_1731.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1688 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C(C4=CC=CC=C4)C=C3)C(N)=N2)C=C1)CCCCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC=C(C2=CC=CC=C2)N=N1 N-[[4-[[5-amino-1-(6-phenylpyridazin-3-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanamide 22 NC1=NC(N[R1])=NN1C2=NN=C(C3=CC=CC=C3)C=C2 O=C(CCCCCCC)NCC1=CC=CC=C1 O=C(CCCCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C(C=C2)C3=CC=CC=C3 CCCCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 10340/5530 7935.0 0 linker/linker_1732.sdf warhead/warhead_1723.sdf e3_ligand/e3_ligand_17.sdf 1689 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C3C(CCCC4=CC=CC=C43)=C2)C(N)=N1)CCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NCCNC(=O)CCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[2-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butanamide 23 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 CCCC(NCC)=O O=C(NCC[R1])CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCC(=O)NCC [R1]CCNC(=O)CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >60000/39220 49610.0 0 linker/linker_1723.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1690 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C3C(CCCC4=CC=CC=C43)=C2)C(N)=N1)CCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NCCNC(=O)CCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[2-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]ethyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanamide 24 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 CCCCC(NCC)=O O=C(NCC[R1])CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCC(=O)NCC [R1]CCNC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 36250/7050 21650.0 0 linker/linker_1004.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1691 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C3C(CCCC4=CC=CC=C43)=C2)C(N)=N1)CCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NCCNC(=O)CCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[2-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]ethyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide 25 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 CCCCCC(NCC)=O O=C(NCC[R1])CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCC(=O)NCC [R1]CCNC(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >60000/37460 48730.0 0 linker/linker_1725.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1692 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C3C(CCCC4=CC=CC=C43)=C2)C(N)=N1)CCCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NCCNC(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[2-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]ethyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanamide 26 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 CCCCCCC(NCC)=O O=C(NCC[R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 44560/41290 42925.0 0 linker/linker_1005.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1693 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCCNC1=NN(C2=NN=C3C(CCCC4=CC=CC=C43)=C2)C(N)=N1)CCCCCCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O NC1=NC(NCCNC(=O)CCCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[2-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]ethyl]-8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanamide 27 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 CCCCCCCC(NCC)=O O=C(NCC[R1])CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >60000/27150 43575.0 0 linker/linker_1727.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1694 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C4C(CCCC5=CC=CC=C54)=C3)C(N)=N2)C=C1)CCCNC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O NC1=NC(NC2=CC=C(CNC(=O)CCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[[4-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butanamide 28 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 O=C(CCC)NCC1=CC=CC=C1 O=C(CCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 41260/34560 37910.0 0 linker/linker_1728.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1695 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C4C(CCCC5=CC=CC=C54)=C3)C(N)=N2)C=C1)CCCCNC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O NC1=NC(NC2=CC=C(CNC(=O)CCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[[4-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]pentanamide 29 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 O=C(CCCC)NCC1=CC=CC=C1 O=C(CCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 39120/41260 40190.0 0 linker/linker_1729.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1696 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C4C(CCCC5=CC=CC=C54)=C3)C(N)=N2)C=C1)CCCCCNC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[[4-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide 30 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 O=C(CCCCC)NCC1=CC=CC=C1 O=C(CCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 32770/29610 31190.0 0 linker/linker_1730.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1697 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C4C(CCCC5=CC=CC=C54)=C3)C(N)=N2)C=C1)CCCCCCNC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[[4-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanamide 31 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 O=C(CCCCCC)NCC1=CC=CC=C1 O=C(CCCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 29540/22340 25940.0 0 linker/linker_1731.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1698 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O=C(NCC1=CC=C(NC2=NN(C3=NN=C4C(CCCC5=CC=CC=C54)=C3)C(N)=N2)C=C1)CCCCCCCNC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O NC1=NC(NC2=CC=C(CNC(=O)CCCCCCCNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C2)=NN1C1=CC2=C(N=N1)C1=CC=CC=C1CCC2 N-[[4-[[5-amino-1-(3,4-diazatricyclo[9.4.0.0^2,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-5-yl)-1,2,4-triazol-3-yl]amino]phenyl]methyl]-8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanamide 32 NC1=NC(N[R1])=NN1C2=NN=C3C(CCCC4=CC=CC=C43)=C2 O=C(CCCCCCC)NCC1=CC=CC=C1 O=C(CCCCCCC[R2])NCC1=CC=C([R1])C=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NC1=NN(C(=N1)N)C2=NN=C3C(=C2)CCCC4=CC=CC=C43 CCCCCCCC(=O)NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CNC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 27620/21080 24350.0 0 linker/linker_1732.sdf warhead/warhead_1733.sdf e3_ligand/e3_ligand_17.sdf 1699 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC=CC=C2)C(CCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[1-[benzyl-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynoyl]amino]-2-(tert-butylamino)-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 3 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=CC=C3 CCC#C [R2]C#CCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=CC=C1)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCC [R1]CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 56 56.0 1 linker/linker_20.sdf warhead/warhead_1743.sdf e3_ligand/e3_ligand_18.sdf 1700 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC=CC=C2)C(CCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[1-[benzyl-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoyl]amino]-2-(tert-butylamino)-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 4 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=CC=C3 CCCC#C [R2]C#CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=CC=C1)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 7.6 7.6 1 linker/linker_19.sdf warhead/warhead_1743.sdf e3_ligand/e3_ligand_18.sdf 1701 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C(CCCCC#CC3=CC=CC4=C3CN(C4=O)C(C(N5)=O)CCC5=O)=O)CC6=CC=CC=C6 CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=CC=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[1-[benzyl-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl]amino]-2-(tert-butylamino)-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 5 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=CC=C3 CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=CC=C1)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4.8 4.8 1 linker/linker_393.sdf warhead/warhead_1743.sdf e3_ligand/e3_ligand_18.sdf 1702 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC=C(Cl)C=C2)C(CCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynoyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 6 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=C(C=C3)Cl CCC#C [R2]C#CCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=C(C=C1)Cl)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCC [R1]CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1403 1403.0 0 linker/linker_20.sdf warhead/warhead_1746.sdf e3_ligand/e3_ligand_18.sdf 1703 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC=C(Cl)C=C2)C(CCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 7 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=C(C=C3)Cl CCCC#C [R2]C#CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=C(C=C1)Cl)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 5.3 5.3 1 linker/linker_19.sdf warhead/warhead_1746.sdf e3_ligand/e3_ligand_18.sdf 1704 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC=C(Cl)C=C2)C(CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC=C(Cl)C=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 8 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC=C(C=C3)Cl CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=C(C=C1)Cl)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.3 1.3 1 linker/linker_393.sdf warhead/warhead_1746.sdf e3_ligand/e3_ligand_18.sdf 1705 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 9 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCC#C [R2]C#CCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCC [R1]CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 95.9 95.9 1 linker/linker_20.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1706 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 10 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCC#C [R2]C#CCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3.2 3.2 1 linker/linker_19.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1707 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 11 WB214 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4.1 1.2 4.1 1.2 1 linker/linker_393.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1708 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 12 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCCC#C [R2]C#CCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCCC [R1]CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.76 0.76 1 linker/linker_394.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1709 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]non-8-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 13 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCCCC#C [R2]C#CCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCCCC [R1]CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2.6 2.6 1 linker/linker_395.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1710 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[10-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]dec-9-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 14 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCCCCC#C [R2]C#CCCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCCCCC [R1]CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3 3.0 1 linker/linker_1277.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1711 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCCCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 3-[2-(tert-butylamino)-1-[11-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]undec-10-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate 15 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCCCCCC#C [R2]C#CCCCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC)C(=O)NC(C)(C)C C#CCCCCCCCC [R1]CCCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 250 250.0 1 linker/linker_396.sdf warhead/warhead_1749.sdf e3_ligand/e3_ligand_18.sdf 1712 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)O CC(C)(C)NC(=O)C(C1=C(C(=O)O)[NH]C2=CC(Cl)=CC=C12)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 3-[2-(tert-butylamino)-1-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid 16 O=C(O)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)O)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_393.sdf warhead/warhead_1756.sdf e3_ligand/e3_ligand_18.sdf 1713 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C(CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C(NC(C)(C)C)=O)C6=C1C=C(Cl)C=C6)NCC CCNC(=O)C1=C(C(C(=O)NC(C)(C)C)N(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 3-[2-(tert-butylamino)-1-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-N-ethyl-1H-indole-2-carboxamide 17 O=C(NCC)C(NC1=C2C=CC(Cl)=C1)=C2C(C(NC(C)(C)C)=O)N(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2=C(NC3=C2C=CC(=C3)Cl)C(=O)NCC)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2.4 2.4 1 linker/linker_393.sdf warhead/warhead_1757.sdf e3_ligand/e3_ligand_18.sdf 1714 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C=O)C(NC(C)(C)C)=O)C3=C1C=C(Cl)C=C3)NCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O CC(C)(C)NC(=O)C(C1=C(C(=O)NCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1 3-[2-(tert-butylamino)-1-[formyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynyl]-1H-indole-2-carboxamide 18 ClC1=CC2=C(C(C(N(CC3=CC(F)=C(F)C(F)=C3)C=O)C(NC(C)(C)C)=O)=C(N2)C([R1])=O)C=C1 NCC#C [R1]NCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC(=C(C(=C3)F)F)F)C=O C#CCN [R1]NCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 61 61.0 1 linker/linker_1758.sdf warhead/warhead_1758.sdf e3_ligand/e3_ligand_18.sdf 1715 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C=O)C(NC(C)(C)C)=O)C3=C1C=C(Cl)C=C3)NCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O CC(C)(C)NC(=O)C(C1=C(C(=O)NCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1 3-[2-(tert-butylamino)-1-[formyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]-1H-indole-2-carboxamide 19 ClC1=CC2=C(C(C(N(CC3=CC(F)=C(F)C(F)=C3)C=O)C(NC(C)(C)C)=O)=C(N2)C([R1])=O)C=C1 NCCC#C [R1]NCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC(=C(C(=C3)F)F)F)C=O C#CCCN [R1]NCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 39 39.0 1 linker/linker_1759.sdf warhead/warhead_1758.sdf e3_ligand/e3_ligand_18.sdf 1716 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C=O)C(NC(C)(C)C)=O)C3=C1C=C(Cl)C=C3)NCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O CC(C)(C)NC(=O)C(C1=C(C(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1 3-[2-(tert-butylamino)-1-[formyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]-1H-indole-2-carboxamide 20 ClC1=CC2=C(C(C(N(CC3=CC(F)=C(F)C(F)=C3)C=O)C(NC(C)(C)C)=O)=C(N2)C([R1])=O)C=C1 NCCCC#C [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC(=C(C(=C3)F)F)F)C=O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 446 446.0 1 linker/linker_1760.sdf warhead/warhead_1758.sdf e3_ligand/e3_ligand_18.sdf 1717 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(C(N(CC2=CC(F)=C(F)C(F)=C2)C=O)C(NC(C)(C)C)=O)C3=C1C=C(Cl)C=C3)NCCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O CC(C)(C)NC(=O)C(C1=C(C(=O)NCCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)[NH]C2=CC(Cl)=CC=C12)N(C=O)CC1=CC(F)=C(F)C(F)=C1 3-[2-(tert-butylamino)-1-[formyl-[(3,4,5-trifluorophenyl)methyl]amino]-2-oxoethyl]-6-chloro-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynyl]-1H-indole-2-carboxamide 21 ClC1=CC2=C(C(C(N(CC3=CC(F)=C(F)C(F)=C3)C=O)C(NC(C)(C)C)=O)=C(N2)C([R1])=O)C=C1 NCCCCC#C [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC(=C(C(=C3)F)F)F)C=O C#CCCCCN [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 731 731.0 1 linker/linker_399.sdf warhead/warhead_1758.sdf e3_ligand/e3_ligand_18.sdf 1718 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(N(C(C1CCCCC1)C(NC(C)(C)C)=O)CC2=CC(F)=C(F)C(F)=C2)CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O CC(C)(C)NC(=O)C(C1CCCCC1)N(CC1=CC(F)=C(F)C(F)=C1)C(=O)CCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O N-[2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]-7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[(3,4,5-trifluorophenyl)methyl]hept-6-ynamide 36 O=C([R1])N(CC1=CC(F)=C(C(F)=C1)F)C(C(NC(C)(C)C)=O)C2CCCCC2 CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)C(C2CCCCC2)C(=O)NC(C)(C)C C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1240 1240.0 0 linker/linker_393.sdf warhead/warhead_1762.sdf e3_ligand/e3_ligand_18.sdf 1719 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(C(N1)=C(CN(CC2=CC(F)=C(F)C(F)=C2)C(CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)=O)C6=C1C=C(Cl)C=C6)OCC CCOC(=O)C1=C(CN(CC2=CC(F)=C(F)C(F)=C2)C(=O)CCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C2=CC=C(Cl)C=C2[NH]1 ethyl 6-chloro-3-[[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynoyl-[(3,4,5-trifluorophenyl)methyl]amino]methyl]-1H-indole-2-carboxylate 37 O=C(OCC)C(NC1=C2C=CC(Cl)=C1)=C2CN(C([R1])=O)CC3=CC(F)=C(C(F)=C3)F CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC(=C(C(=C1)F)F)F)CC2=C(NC3=C2C=CC(=C3)Cl)C(=O)OCC C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 16.9 16.9 1 linker/linker_393.sdf warhead/warhead_1763.sdf e3_ligand/e3_ligand_18.sdf 1720 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(N(CC1=CC=C(Cl)C=C1)CC2=CC(F)=C(F)C(F)=C2)CCCCC#CC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O O=C1CCC(N2CC3=C(C#CCCCCC(=O)N(CC4=CC=C(Cl)C=C4)CC4=CC(F)=C(F)C(F)=C4)C=CC=C3C2=O)C(=O)N1 N-[(4-chlorophenyl)methyl]-7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[(3,4,5-trifluorophenyl)methyl]hept-6-ynamide 38 O=C([R1])N(CC1=CC(F)=C(C(F)=C1)F)CC2=CC=C(C=C2)Cl CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N(CC1=CC=C(C=C1)Cl)CC2=CC(=C(C(=C2)F)F)F C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 19.7 19.7 1 linker/linker_393.sdf warhead/warhead_1764.sdf e3_ligand/e3_ligand_18.sdf 1721 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCOCCCN2[C@H](COC3=NC(N4C[C@H](CC#N)N(C(/C(C#N)=C\C5CC5)=O)CC4)=C6C(CN(C7=C8C(Cl)=CC=CC8=CC=C7)CC6)=N3)CCC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC9=CC=C(C%10=C(C)N=CS%10)C=C9 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCCN3CCC[C@H]3COC3=NC4=C(CCN(C5=CC=CC6=CC=CC(Cl)=C56)C4)C(N4CCN(C(=O)/C(C#N)=C\C5CC5)[C@@H](CC#N)C4)=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[7-(8-chloronaphthalen-1-yl)-4-[(3S)-4-[(Z)-2-cyano-3-cyclopropylprop-2-enoyl]-3-(cyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YF135 YF135 [R1]N1[C@H](COC2=NC(N3C[C@H](CC#N)N(C(/C(C#N)=C\C4CC4)=O)CC3)=C5C(CN(C6=C7C(Cl)=CC=CC7=CC=C6)CC5)=N2)CCC1 CCOCCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(CCN(C3)C4=CC=CC5=C4C(=CC=C5)Cl)C(=N2)N6CCN([C@H](C6)CC#N)C(=O)/C(=C\C7CC7)/C#N CCCOCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3610/4530 153.9/243.9 4070.0 198.9 0 linker/linker_92.sdf warhead/warhead_1765.sdf e3_ligand/e3_ligand_27.sdf 1722 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4d O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCC [R1]NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCN [R1]NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.5 28.5 1 linker/linker_1182.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1723 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4e O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9.4 9.4 1 linker/linker_1767.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1724 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4e O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 52.7 52.7 1 linker/linker_1767.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1725 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4f O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.1 63.3 8.1 63.3 1 linker/linker_1769.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1726 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4f O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 80.4 1689.3 80.4 1689.3 1 linker/linker_1769.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1727 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4g O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.3 104.5 8.3 104.5 1 linker/linker_1771.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1728 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNC4=C5C(NC=C5C(C6=CC=C(OC7=CC=CC=C7)C=C6Cl)=O)=NC=N4 O=C(CNC1=NC=NC2=C1C(C(=O)C1=CC=C(OC3=CC=CC=C3)C=C1Cl)=C[NH]2)NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 4g O=C(C1=CNC2=C1C(NCC([R1])=O)=NC=N2)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl NCCOCCOCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)CNC1=NC=NC2=C1C(=CN2)C(=O)C3=C(C=C(C=C3)OC4=CC=CC=C4)Cl CCOCCOCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 52.3 750 52.3 750.0 1 linker/linker_1771.sdf warhead/warhead_1766.sdf e3_ligand/e3_ligand_7.sdf 1729 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]urea 6c O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCC O=C([R1])NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32.3 32.3 1 linker/linker_1773.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1730 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]urea 6c O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCC O=C([R1])NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.1 30.1 1 linker/linker_1773.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1731 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea 6d O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCCOCC O=C([R1])NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12.1 39.5 12.1 39.5 1 linker/linker_583.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1732 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea 6d O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCCOCC O=C([R1])NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37.9 290.1 37.9 290.1 1 linker/linker_583.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1733 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea 6e O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCCOCCOCC O=C([R1])NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 41.9 45.7 41.9 45.7 1 linker/linker_1777.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1734 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)N[C@H]4CC[C@@H](NC5=C6C(NC=C6C(C7=CC=C(OC8=CC=CC=C8)C=C7Cl)=O)=NC=N5)CC4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea 6e O=C(C1=CNC2=C1C(N[C@H]3CC[C@H](CC3)N[R1])=NC=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CNCCOCCOCCOCCOCCOCC O=C([R1])NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCOCCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42.9 253.5 42.9 253.5 1 linker/linker_1777.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_7.sdf 1735 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1CCC(N2C(C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(N[C@H]4CC[C@@H](NC5=C6C(C(C7=C(Cl)C=C(OC8=CC=CC=C8)C=C7)=O)=CNC6=NC=N5)CC4)=O)=C3C2=O)=O)C(N1)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOCCOCCNC(=O)N[C@H]4CC[C@@H](NC5=NC=NC6=C5C(C(=O)C5=CC=C(OC7=CC=CC=C7)C=C5Cl)=C[NH]6)CC4)=C3C2=O)C(=O)N1 1-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea PROTAC 6e O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 NCCOCCOCCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCCOCCOCCN[R2] O=C1CCC(N2C(C3=CC=CC([R2])=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl NCCOCCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20 45.7/1760.0 86.5/88.6 20.0 87.55 902.85 1 linker/linker_1779.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_16.sdf 1736 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NO)CCCO/N=C1/C(NC2=C1C=CC=C2)=C3C(N(CC4=CN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)N=N4)C8=C/3C=CC=C8)=O O=C(CCCO/N=C1C(=C2/C(=O)N(CC3=CN(CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)C3=CC=CC=C23)/NC2=CC=CC=C/12)NO 4-[(E)-[(2Z)-2-[1-[[1-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]triazol-4-yl]methyl]-2-oxoindol-3-ylidene]-1H-indol-3-ylidene]amino]oxy-N-hydroxybutanamide 14a O=C(NO)CCCO/N=C1C2=CC=CC=C2NC\1=C(C3=C4C=CC=C3)/C(N4[R1])=O CC1=CN(CCOCC)N=N1 [R2]CCOCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2=CC=CC=C2/C(=C/3\C(=N\OCCCC(=O)NO)\C4=CC=CC=C4N3)/C1=O CCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 108.9 108.9 1 linker/linker_341.sdf warhead/warhead_1780.sdf e3_ligand/e3_ligand_7.sdf 1737 O60674 Janus kinase 2 JAK2 O=C(NC1CCN(C2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3=O)=O)C=C2)CC1)C5=CC=C(NC6=NC(C7=CN(C8(CC#N)CN(S(=O)(CC)=O)C8)N=C7)=C9C(NC=C9)=N6)C=C5 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]benzamide 4 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NC1CCNCC1)C2=CC=C(N)C=C2 O=C(NC1CCN([R2])CC1)C2=CC=C(N[R1])C=C2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NC2CCNCC2)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21 21.0 1 linker/linker_1781.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_616.sdf 1738 O60674 Janus kinase 2 JAK2 O=C(NCCCCNC1=CC=CC(C(CC2)C(NC2=O)=O)=C1)C3=CC=C(NC4=NC(C5=CN(C6(CC#N)CN(S(=O)(CC)=O)C6)N=C5)=C7C(NC=C7)=N4)C=C3 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCNC5=CC=CC(C6CCC(=O)NC6=O)=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]benzamide 6 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NCCCCN)C1=CC=C(N)C=C1 O=C(NCCCCN[R2])C1=CC=C(N[R1])C=C1 O=C(N1)CCC(C2=CC=CC([R2])=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NCCCCNC(=O)C1=CC=C(N)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NCCCCN[R2] [R2]C1=CC(=CC=C1)C2CCC(=O)NC2=O 14 14.0 1 linker/linker_1782.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1739.sdf 1739 O60674 Janus kinase 2 JAK2 O=C(NCCCCOC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)C3=CC=C(NC4=NC(C5=CN(C6(CC#N)CN(S(=O)(CC)=O)C6)N=C5)=C7C(NC=C7)=N4)C=C3 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCCOC5=CC=C(C6CCC(=O)NC6=O)C=C5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[4-[4-(2,6-dioxopiperidin-3-yl)phenoxy]butyl]benzamide 7 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NCCCCO)C1=CC=C(N)C=C1 O=C(NCCCCO[R2])C1=CC=C(N[R1])C=C1 O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NCCCCO)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NCCCCO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 17 17.0 1 linker/linker_1783.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1740.sdf 1740 O60674 Janus kinase 2 JAK2 O=C(NC1CCN(C2=CC=C(C(CC3)C(NC3=O)=O)C=C2)CC1)C4=CC=C(NC5=NC(C6=CN(C7(CC#N)CN(S(=O)(CC)=O)C7)N=C6)=C8C(NC=C8)=N5)C=C4 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NC5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]benzamide 9 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NC1CCNCC1)C2=CC=C(N)C=C2 O=C(NC1CCN([R2])CC1)C2=CC=C(N[R1])C=C2 O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NC2CCNCC2)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NC2CCN(CC2)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 26 26.0 1 linker/linker_1781.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1740.sdf 1741 P52333 Tyrosine-protein kinase JAK3 JAK3 L-JAK O=C(NCCCN1CCN(C2=CC=C(C(CC3)C(NC3=O)=O)C=C2)CC1)C4=CC=C(NC5=NC(C6=CN(C7(CC#N)CN(S(=O)(CC)=O)C7)N=C6)=C8C(NC=C8)=N5)C=C4 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]benzamide 11 SJ10542 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NCCCN1CCNCC1)C2=CC=C(N)C=C2 O=C(NCCCN1CCN([R2])CC1)C2=CC=C(N[R1])C=C2 O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NCCCN2CCNCC2)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 11 11.0 1 linker/linker_1785.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1740.sdf 1742 O60674 Janus kinase 2 JAK2 O=C(NCCCN1CCN(C2=CC=C(C(CC3)C(NC3=O)=O)C=C2)CC1)C4=CC=C(NC5=NC(C6=CN(C7(CC#N)CN(S(=O)(CC)=O)C7)N=C6)=C8C(NC=C8)=N5)C=C4 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]benzamide 11 SJ10542 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NCCCN1CCNCC1)C2=CC=C(N)C=C2 O=C(NCCCN1CCN([R2])CC1)C2=CC=C(N[R1])C=C2 O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NCCCN2CCNCC2)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 14/24 19.0 1 linker/linker_1785.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1740.sdf 1743 O60674 Janus kinase 2 R683G JAK2 R683G O=C(NCCCN1CCN(C2=CC=C(C(CC3)C(NC3=O)=O)C=C2)CC1)C4=CC=C(NC5=NC(C6=CN(C7(CC#N)CN(S(=O)(CC)=O)C7)N=C6)=C8C(NC=C8)=N5)C=C4 CCS(=O)(=O)N1CC(CC#N)(N2C=C(C3=NC(NC4=CC=C(C(=O)NCCCN5CCN(C6=CC=C(C7CCC(=O)NC7=O)C=C6)CC5)C=C4)=NC4=C3C=C[NH]4)C=N2)C1 4-[[4-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]benzamide 11 SJ10542 CCS(=O)(N1CC(CC#N)(N2C=C(C3=C4C=CNC4=NC([R1])=N3)C=N2)C1)=O O=C(NCCCN1CCNCC1)C2=CC=C(N)C=C2 O=C(NCCCN1CCN([R2])CC1)C2=CC=C(N[R1])C=C2 O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1=NC(=C2C=CNC2=N1)C3=CN(N=C3)C4(CN(C4)S(=O)(=O)CC)CC#N NC1=CC=C(C(=O)NCCCN2CCNCC2)C=C1 [R1]NC1=CC=C(C=C1)C(=O)NCCCN2CCN(CC2)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 74 74.0 1 linker/linker_1785.sdf warhead/warhead_1781.sdf e3_ligand/e3_ligand_1740.sdf 1744 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCC(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5NS(=O)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(C2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2NS(C)(=O)=O)=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[[5-chloro-4-[2-(methanesulfonamido)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6a COC1=C(C=CC(C2CCN([R1])CC2)=C1)NC3=NC=C(C(NC4=CC=CC=C4NS(C)(=O)=O)=N3)Cl CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Cl)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 370 370.0 1 linker/linker_2.sdf warhead/warhead_1788.sdf e3_ligand/e3_ligand_23.sdf 1745 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCC(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5N(C)S(=O)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(C2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2N(C)S(C)(=O)=O)=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[[5-chloro-4-[2-[methyl(methylsulfonyl)amino]anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6b COC1=C(C=CC(C2CCN([R1])CC2)=C1)NC3=NC=C(C(NC4=CC=CC=C4N(C)S(C)(=O)=O)=N3)Cl CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCC(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4N(C)S(=O)(=O)C)Cl)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 70 70.0 1 linker/linker_2.sdf warhead/warhead_1789.sdf e3_ligand/e3_ligand_23.sdf 1746 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6c COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50 50.0 1 linker/linker_2.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1747 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(C(C)C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6d [R1]N1CCN(CC1)C2=CC=C(C(OC)=C2)NC3=NC=C(C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)Cl CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 240 240.0 1 linker/linker_2.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_23.sdf 1748 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[4-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6e COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 370 370.0 1 linker/linker_10.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1749 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[5-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6f COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 230 230.0 1 linker/linker_7.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1750 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6g COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 140 140.0 1 linker/linker_12.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1751 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8 20 8.0 20.0 1 linker/linker_13.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1752 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 228.6 228.6 1 linker/linker_13.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1753 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1131 1131.0 0 linker/linker_13.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1754 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S O=C([C@H]1N(C([C@@H](NC(CCCCCCCCN2CCN(C3=CC=C(NC4=NC=C(Cl)C(NC5=CC=CC=C5P(C)(C)=O)=N4)C(OC)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C COC1=CC(N2CCN(CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 (2S,4R)-1-[(2S)-2-[9-[4-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6i COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(NC4=CC=CC=C4P(C)(C)=O)=N3)Cl CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 30 30.0 1 linker/linker_33.sdf warhead/warhead_417.sdf e3_ligand/e3_ligand_23.sdf 1755 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=C1[C@H](CN(CC[C@@H]2N1[C@@H](CC2)C(N[C@@H](CCC(N)=O)C(NC(C3=CC=CC=C3)C4=CC=CC=C4)=O)=O)C(CCCCCC#CC5=CC=CC6=C5CN(C7C(NC(CC7)=O)=O)C6=O)=O)NC(C8=CC9=C(N8)C=CC(C(P(O)(O)=O)=O)=C9)=O NC(=O)CC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCN(C(=O)CCCCCC#CC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C[C@H](NC(=O)C3=CC4=CC(C(=O)P(=O)(O)O)=CC=C4[NH]3)C(=O)N12)C(=O)NC(C1=CC=CC=C1)C1=CC=CC=C1 [2-[[(5S,8S,10aR)-8-[[(2S)-5-amino-1-(benzhydrylamino)-1,5-dioxopentan-2-yl]carbamoyl]-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynoyl]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl]-1H-indole-5-carbonyl]phosphonic acid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linker/linker_394.sdf warhead/warhead_1799.sdf e3_ligand/e3_ligand_18.sdf 1756 P11362 Fibroblast growth factor receptor 1 FGFR1 BFGFR FLT-2 ClC(C(OC)=CC(OC)=C1Cl)=C1NC(N(C)C2=NC=NC(NC(C=C3)=CC=C3N4CCN(CC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O)=O)CC4)=C2)=O COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl (2S,4R)-1-[(2S)-2-[[2-[4-[4-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide DGY-09-192 DGY-09-192 [R1]N1CCN(C2=CC=C(NC3=CC(N(C(NC4=C(Cl)C(OC)=CC(OC)=C4Cl)=O)C)=NC=N3)C=C2)CC1 C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.35 17 4.35 17.0 1 linker/linker_1800.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_23.sdf 1757 P21802 Fibroblast growth factor receptor 2 FGFR2 BEK KGFR ClC(C(OC)=CC(OC)=C1Cl)=C1NC(N(C)C2=NC=NC(NC(C=C3)=CC=C3N4CCN(CC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O)=O)CC4)=C2)=O COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)=NC=N2)=C1Cl (2S,4R)-1-[(2S)-2-[[2-[4-[4-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide DGY-09-192 DGY-09-192 [R1]N1CCN(C2=CC=C(NC3=CC(N(C(NC4=C(Cl)C(OC)=CC(OC)=C4Cl)=O)C)=NC=N3)C=C2)CC1 C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 70 1 70.0 1.0 1 linker/linker_1800.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_23.sdf 1758 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(COCCOCCOCCOCCN1CCN(CC1)C2=CC(OC)=C(NC3=NC=C(C(F)(F)F)C(NC4=CC=CC=C4C(NC)=O)=C3)C=C2)N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 1 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 125.9 125.9 1 linker/linker_205.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1759 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(CCCCCCCCCCN1CCN(CC1)C2=CC(OC)=C(NC3=NC=C(C(F)(F)F)C(NC4=CC=CC=C4C(NC)=O)=C3)C=C2)N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[11-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20 20.0 1 linker/linker_35.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1760 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)COCCOCCN4CCN(C5=CC(OC)=C(C=C5)NC6=NC=C(C(NC7=CC=CC=C7C(NC)=O)=C6)C(F)(F)F)CC4 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC COCCOCC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 158.5 158.5 1 linker/linker_243.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1761 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)COCCN4CCN(C5=CC(OC)=C(C=C5)NC6=NC=C(C(NC7=CC=CC=C7C(NC)=O)=C6)C(F)(F)F)CC4 CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC COCC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.6 31.6 1 linker/linker_197.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1762 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(CCN1CCN(CC1)C2=CC(OC)=C(NC3=NC=C(C(F)(F)F)C(NC4=CC=CC=C4C(NC)=O)=C3)C=C2)N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[3-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 5 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39.8 39.8 1 linker/linker_9.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1763 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(CN1CCN(C2=CC(OC)=C(C=C2)NC3=NC=C(C(NC4=CC=CC=C4C(NC)=O)=C3)C(F)(F)F)CC1)N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)=O CNC(=O)C1=CC=CC=C1NC1=CC(NC2=CC=C(N3CCN(CC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2OC)=NC=C1C(F)(F)F (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[4-[3-methoxy-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6(GSK215) GSK215 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=C3)NC4=CC=CC=C4C(=O)NC)C(F)(F)F)OC C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4 4.0 1 linker/linker_1800.sdf warhead/warhead_1219.sdf e3_ligand/e3_ligand_23.sdf 1764 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C2N1C(SC(C)=C3C)=C3C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NCC5=CN(CCCCNC(COC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3a [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C OCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1=CN(CCCCNC(=O)CO)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.222/710.45 355.336 1 linker/linker_1808.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 1765 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C2N1C(SC(C)=C3C)=C3C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NCC5=CN(CCCCNC(COC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3a [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C OCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1=CN(CCCCNC(=O)CO)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.222/710.45 355.336 1 linker/linker_1808.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 1766 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C2N1C(SC(C)=C3C)=C3C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NCC5=CN(CCCCNC(CNC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3b [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCCCN1C=C(CN)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.208/105 52.604 1 linker/linker_1810.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_7.sdf 1767 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C2N1C(SC(C)=C3C)=C3C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NCC5=CN(CCCCNC(CNC6=C7C(C(N(C8CCC(NC8=O)=O)C7=O)=O)=CC=C6)=O)N=N5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3b [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCCCN1C=C(CN)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.208/105 52.604 1 linker/linker_1810.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_7.sdf 1768 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C(S2)=C(C(C3=CC=C(Cl)C=C3)=N4)C(C)=C2C)=NN=C1[C@@H]4CC(NCC5=CN(N=N5)CCCCNC(COC6=CC=C(C=C6)C(CCC7=O)C(N7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3c [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C OCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1=CN(CCCCNC(=O)CO)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.199/334.55 167.3745 1 linker/linker_1808.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1769 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC(N1C(S2)=C(C(C3=CC=C(Cl)C=C3)=N4)C(C)=C2C)=NN=C1[C@@H]4CC(NCC5=CN(N=N5)CCCCNC(COC6=CC=C(C=C6)C(CCC7=O)C(N7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3c [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C OCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1=CN(CCCCNC(=O)CO)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.199/334.55 167.3745 1 linker/linker_1808.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1770 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(N1C(S2)=C(C(C3=CC=C(Cl)C=C3)=N4)C(C)=C2C)=NN=C1[C@@H]4CC(NCC5=CN(N=N5)CCCCNC(CNC6=CC=C(C=C6)C(CCC7=O)C(N7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)anilino]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3d [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CN[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(=O)NCCCCN1C=C(CN)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CN[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.133/102.78 51.4565 1 linker/linker_1814.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1771 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC(N1C(S2)=C(C(C3=CC=C(Cl)C=C3)=N4)C(C)=C2C)=NN=C1[C@@H]4CC(NCC5=CN(N=N5)CCCCNC(CNC6=CC=C(C=C6)C(CCC7=O)C(N7)=O)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1=CN(CCCCNC(=O)CNC3=CC=C(C4CCC(=O)NC4=O)C=C3)N=N1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[[1-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)anilino]acetyl]amino]butyl]triazol-4-yl]methyl]acetamide 3d [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(NCCCCN(N=N1)C=C1CN)=O O=C(NCCCCN(N=N1)C=C1CN[R1])CN[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(=O)NCCCCN1C=C(CN)N=N1 [R1]NCC1=CN(N=N1)CCCCNC(=O)CN[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.133/102.78 51.4565 1 linker/linker_1814.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1772 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(COC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)=O)C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]acetamide 4b [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(CO)=O O=C(NCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.06/13.22 6.640000000000001 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1773 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(NCCCCNC(COC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)=O)C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]acetamide 4b [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(CO)=O O=C(NCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.06/13.22 6.640000000000001 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1774 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCCNC(COC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)=O)C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide 4c(SJ995973) SJ995973 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(CO)=O O=C(NCCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)CO [R1]NCCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.87/0.16 0.003 0.515 0.003 1 linker/linker_1818.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1775 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCCNC(COC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)=O)C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide 4c(SJ995973) SJ995973 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(CO)=O O=C(NCCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)CO [R1]NCCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 24 1.83 24.0 1.83 1 linker/linker_1818.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1776 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(NCCCCCNC(COC1=CC=C(C(CC2)C(NC2=O)=O)C=C1)=O)C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=C(C3CCC(=O)NC3=O)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide 4c(SJ995973) SJ995973 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(CO)=O O=C(NCCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)CO [R1]NCCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.003/1.83 0.9165 1 linker/linker_1818.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1740.sdf 1777 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCCCCNC(COC5=CC=CC(C(C(N6)=O)CCC6=O)=C5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]acetamide 4d [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(CO)=O O=C(NCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=CC([R2])=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=CC(=CC=C1)C2CCC(=O)NC2=O 20.076/379.65 199.863 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1739.sdf 1778 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCCCCNC(COC5=CC=CC(C(C(N6)=O)CCC6=O)=C5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]butyl]acetamide 4d [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(CO)=O O=C(NCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=CC([R2])=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=CC(=CC=C1)C2CCC(=O)NC2=O 20.076/379.65 199.863 1 linker/linker_280.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1739.sdf 1779 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCCCCCNC(COC5=CC(C(C(N6)=O)CCC6=O)=CC=C5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide 4e [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(CO)=O O=C(NCCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=CC([R2])=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)CO [R1]NCCCCCNC(=O)CO[R2] [R2]C1=CC(=CC=C1)C2CCC(=O)NC2=O 1.147/64.85 32.9985 1 linker/linker_1818.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1739.sdf 1780 P25440 Bromodomain-containing protein 2 BRD2 RING3 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCCCCCNC(COC5=CC(C(C(N6)=O)CCC6=O)=CC=C5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)COC1=CC=CC(C3CCC(=O)NC3=O)=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[[2-[3-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]pentyl]acetamide 4e [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(CO)=O O=C(NCCCCCN[R1])CO[R2] O=C(N1)CCC(C2=CC=CC([R2])=C2)C1=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)CO [R1]NCCCCCNC(=O)CO[R2] [R2]C1=CC(=CC=C1)C2CCC(=O)NC2=O 1.147/64.85 32.9985 1 linker/linker_1818.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_1739.sdf 1781 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(C(C2=O)=CC3=C(O2)C=C(O)C=C3)C=C1)CN4N=NC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]-N-[4-(7-hydroxy-2-oxochromen-3-yl)phenyl]acetamide MD1 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=C(N)CN1N=NC(C)=C1 O=C(N[R1])CN1N=NC(C[R2])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O CC1=CN(CC(N)=O)N=N1 [R1]NC(=O)CN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/16 8.0 0 linker/linker_1825.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1782 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCC4=CN(CC(NC5=CC=C(C(C6=O)=CC7=C(O6)C=C(O)C=C7)C=C5)=O)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-3-[1-[2-[4-(7-hydroxy-2-oxochromen-3-yl)anilino]-2-oxoethyl]triazol-4-yl]propanamide MD2 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=CCCC1=CN(CC(N)=O)N=N1 O=C([R2])CCC1=CN(CC(N[R1])=O)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O NC(=O)CN1C=C(CCC=O)N=N1 [R1]NC(=O)CN1C=C(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/31 15.5 0 linker/linker_1826.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1783 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCC4=CN(CC(NC5=CC=C(C(C6=O)=CC7=C(O6)C=C(O)C=C7)C=C5)=O)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-4-[1-[2-[4-(7-hydroxy-2-oxochromen-3-yl)anilino]-2-oxoethyl]triazol-4-yl]butanamide MD3 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=CCCCC1=CN(CC(N)=O)N=N1 O=C([R2])CCCC1=CN(CC(N[R1])=O)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O NC(=O)CN1C=C(CCCC=O)N=N1 [R1]NC(=O)CN1C=C(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/22 11.0 0 linker/linker_1827.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1784 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCC4=CN(CC(NC5=CC=C(C(C6=O)=CC7=C(O6)C=C(O)C=C7)C=C5)=O)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCC4=CN(CC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[1-[2-[4-(7-hydroxy-2-oxochromen-3-yl)anilino]-2-oxoethyl]triazol-4-yl]pentanamide MD4 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=CCCCCC1=CN(CC(N)=O)N=N1 O=C([R2])CCCCC1=CN(CC(N[R1])=O)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O NC(=O)CN1C=C(CCCCC=O)N=N1 [R1]NC(=O)CN1C=C(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/50 25.0 0 linker/linker_1828.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1785 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCC4=CN(CCC(NC5=CC=C(C(C6=O)=CC7=C(O6)C=C(O)C=C7)C=C5)=O)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCCC4=CN(CCC(=O)NC5=CC=C(C6=CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[1-[3-[4-(7-hydroxy-2-oxochromen-3-yl)anilino]-3-oxopropyl]triazol-4-yl]pentanamide MD5 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=CCCCCC1=CN(CCC(N)=O)N=N1 O=C([R2])CCCCC1=CN(CCC(N[R1])=O)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O NC(=O)CCN1C=C(CCCCC=O)N=N1 [R1]NC(=O)CCN1C=C(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/58 29.0 0 linker/linker_1829.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1786 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(C(C2=O)=CC3=C(O2)C=C(O)C=C3)C=C1)CCCC4=CN(C5=CC=C(CC(NC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)C=C5)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CC4=CC=C(N5C=C(CCCC(=O)NC6=CC=C(C7=CC8=CC=C(O)C=C8OC7=O)C=C6)N=N5)C=C4)=C3C2=O)C(=O)N1 4-[1-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]phenyl]triazol-4-yl]-N-[4-(7-hydroxy-2-oxochromen-3-yl)phenyl]butanamide MD6 [R1]C1=CC=C(C2=CC3=CC=C(C=C3OC2=O)O)C=C1 O=C(N)CCCC1=CN(C2=CC=C(CC=O)C=C2)N=N1 O=C(N[R1])CCCC1=CN(C2=CC=C(CC([R2])=O)C=C2)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O NC(=O)CCCC1=CN(C2=CC=C(CC=O)C=C2)N=N1 [R1]NC(=O)CCCC1=CN(N=N1)C2=CC=C(C=C2)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/0 0.0 0 linker/linker_1830.sdf warhead/warhead_1825.sdf e3_ligand/e3_ligand_7.sdf 1787 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]pentanamide MD7 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 CCCCC(N)=O O=C(N[R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CCCCC(N)=O [R1]NC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/61 30.5 0 linker/linker_1831.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1788 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NCC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C(CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(N2CC3=CC=C(O)C=C3OC2=O)C=C1 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]methyl]pentanamide MD8 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 CCCCC(NC)=O O=C(NC[R1])CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CCCCC(=O)NC [R1]CNC(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21/51 36.0 0 linker/linker_729.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1789 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCCCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1 7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]heptanamide MD9 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 CCCCCCC(N)=O O=C(N[R1])CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1500 1500.0 0 linker/linker_1177.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1790 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCN4N=NC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCC(=O)NC5=CC=C(N6CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]-N-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]propanamide MD10 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 O=C(N)CCN1N=NC(C)=C1 O=C(N[R1])CCN1N=NC(C[R2])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CC1=CN(CCC(N)=O)N=N1 [R1]NC(=O)CCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 55/61 58.0 0 linker/linker_1834.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1791 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCC4=CN(CCC(NC5=CC=C(N6C(OC7=CC(O)=CC=C7C6)=O)C=C5)=O)N=N4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCC4=CN(CCC(=O)NC5=CC=C(N6CC7=CC=C(O)C=C7OC6=O)C=C5)N=N4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-4-[1-[3-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)anilino]-3-oxopropyl]triazol-4-yl]butanamide MD11 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 O=CCCCC1=CN(CCC(N)=O)N=N1 O=C([R2])CCCC1=CN(CCC(N[R1])=O)N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O NC(=O)CCN1C=C(CCCC=O)N=N1 [R1]NC(=O)CCN1C=C(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/40 20.0 0 linker/linker_1835.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1792 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CC4=CC=C(N5N=NC(CNC(CC6=CC=C(N7C(OC8=CC(O)=CC=C8C7)=O)C=C6)=O)=C5)C=C4 O=C(CC1=CC=C(N2CC3=CC=C(O)C=C3OC2=O)C=C1)NCC1=CN(C2=CC=C(CC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)N=N1 N-[[1-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]phenyl]triazol-4-yl]methyl]-2-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]acetamide MD12 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 O=CCC1=CC=C(N2N=NC(CNC(C)=O)=C2)C=C1 O=C([R2])CC1=CC=C(N2N=NC(CNC(C[R1])=O)=C2)C=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CC(=O)NCC1=CN(C2=CC=C(CC=O)C=C2)N=N1 [R1]CC(=O)NCC1=CN(N=N1)C2=CC=C(C=C2)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/38 19.0 0 linker/linker_1836.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1793 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCCCCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]octanamide MD13 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 CCCCCCCC(N)=O O=C(N[R1])CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CCCCCCCC(N)=O [R1]NC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_1837.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1794 P14174 Macrophage migration inhibitory factor MIF GLIF MMIF O=C(NC1=CC=C(N2C(OC3=CC(O)=CC=C3C2)=O)C=C1)CCCCCCCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCC(=O)NC4=CC=C(N5CC6=CC=C(O)C=C6OC5=O)C=C4)=C3C2=O)C(=O)N1 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-(7-hydroxy-2-oxo-4H-1,3-benzoxazin-3-yl)phenyl]decanamide MD14 OC(C=C1OC2=O)=CC=C1CN2C3=CC=C([R1])C=C3 CCCCCCCCCC(N)=O O=C(N[R1])CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CC3=C(C=C(C=C3)O)OC2=O CCCCCCCCCC(N)=O [R1]NC(=O)CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51/64 57.5 0 linker/linker_1838.sdf warhead/warhead_1831.sdf e3_ligand/e3_ligand_7.sdf 1795 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF1 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(C)=C1 O=C([R2])CCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCC=O)N=N1 [R1]CC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 65.95/74.57 70.25999999999999 1 linker/linker_1839.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1796 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF1 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(C)=C1 O=C([R2])CCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCC=O)N=N1 [R1]CC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_1839.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1797 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF1 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(C)=C1 O=C([R2])CCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCC=O)N=N1 [R1]CC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1839.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1798 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF1 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(C)=C1 O=C([R2])CCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCC=O)N=N1 [R1]CC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1839.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1799 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF2 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(C)=C1 O=C([R2])CCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 66.71/110.37 88.53999999999999 1 linker/linker_1843.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1800 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF2 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(C)=C1 O=C([R2])CCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_1843.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1801 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF2 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(C)=C1 O=C([R2])CCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1843.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1802 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF2 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(C)=C1 O=C([R2])CCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1843.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1803 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF3 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(C)=C1 O=C([R2])CCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 18.03/14.26 16.145 1 linker/linker_1436.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1804 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF3 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(C)=C1 O=C([R2])CCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 64.02 64.02 1 linker/linker_1436.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1805 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF3 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(C)=C1 O=C([R2])CCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1436.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1806 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF3 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(C)=C1 O=C([R2])CCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1436.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1807 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF4 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(C)=C1 O=C([R2])CCCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 15.03/12.13 13.58 1 linker/linker_259.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1808 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF4 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(C)=C1 O=C([R2])CCCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 56.68 56.68 1 linker/linker_259.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1809 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF4 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(C)=C1 O=C([R2])CCCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_259.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1810 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF4 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(C)=C1 O=C([R2])CCCCCN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CCCCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_259.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1811 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF5 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(C)=C1 O=C([R2])CN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CC=O)N=N1 [R1]CC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 9.57/9.85 9.71 1 linker/linker_1855.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1812 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF5 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(C)=C1 O=C([R2])CN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CC=O)N=N1 [R1]CC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 22.24 22.24 1 linker/linker_1855.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1813 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF5 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(C)=C1 O=C([R2])CN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CC=O)N=N1 [R1]CC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 414.7 414.7 1 linker/linker_1855.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1814 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF5 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(C)=C1 O=C([R2])CN1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(CC=O)N=N1 [R1]CC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 449.2 449.2 1 linker/linker_1855.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1815 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF6 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(C)=C1 O=C([R2])C(C)N1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(C(C)C=O)N=N1 [R1]CC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 11.26/11.19 11.225 1 linker/linker_1859.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1816 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF6 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(C)=C1 O=C([R2])C(C)N1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(C(C)C=O)N=N1 [R1]CC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 61.77 61.77 1 linker/linker_1859.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1817 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF6 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(C)=C1 O=C([R2])C(C)N1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(C(C)C=O)N=N1 [R1]CC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1859.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1818 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF6 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(C)=C1 O=C([R2])C(C)N1N=NC(C[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CC1=CN(C(C)C=O)N=N1 [R1]CC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1859.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1819 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF7 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCC)=C1 O=C([R2])CCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 15.85/15.88 15.865 1 linker/linker_1863.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1820 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF7 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCC)=C1 O=C([R2])CCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_1863.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1821 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF7 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCC)=C1 O=C([R2])CCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1863.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1822 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF7 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCC)=C1 O=C([R2])CCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1863.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1823 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF8 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCC)=C1 O=C([R2])CCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 15.63/32.69 24.16 1 linker/linker_1867.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1824 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF8 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCC)=C1 O=C([R2])CCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_1867.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1825 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF8 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCC)=C1 O=C([R2])CCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1867.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1826 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF8 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCC)=C1 O=C([R2])CCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1867.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1827 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF9 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 21.61/35.09 28.35 1 linker/linker_1871.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1828 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF9 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_1871.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1829 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF9 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1871.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1830 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF9 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1871.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1831 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF10 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 14.05/14.02 14.035 1 linker/linker_1875.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1832 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF10 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 53.07 53.07 1 linker/linker_1875.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1833 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF10 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 793.3 793.3 1 linker/linker_1875.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1834 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF10 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCC)=C1 O=C([R2])CCCCCN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CCCCCC=O)N=N1 [R1]CCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 849.4 849.4 1 linker/linker_1875.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1835 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF11 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCC)=C1 O=C([R2])CN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CC=O)N=N1 [R1]CCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 21.8/22.87 22.335 1 linker/linker_1879.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1836 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF11 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCC)=C1 O=C([R2])CN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CC=O)N=N1 [R1]CCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 21.23 21.23 1 linker/linker_1879.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1837 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF11 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCC)=C1 O=C([R2])CN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CC=O)N=N1 [R1]CCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 449.9 449.9 1 linker/linker_1879.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1838 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF11 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCC)=C1 O=C([R2])CN1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(CC=O)N=N1 [R1]CCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 448.3 448.3 1 linker/linker_1879.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1839 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF12 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCC)=C1 O=C([R2])C(C)N1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(C(C)C=O)N=N1 [R1]CCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 13.12/20.04 16.58 1 linker/linker_1883.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1840 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF12 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCC)=C1 O=C([R2])C(C)N1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(C(C)C=O)N=N1 [R1]CCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 52.08 52.08 1 linker/linker_1883.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1841 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF12 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCC)=C1 O=C([R2])C(C)N1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(C(C)C=O)N=N1 [R1]CCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >1000 1000.0 0 linker/linker_1883.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1842 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[3-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]propyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF12 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCC)=C1 O=C([R2])C(C)N1N=NC(CCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCC1=CN(C(C)C=O)N=N1 [R1]CCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 837.3 837.3 1 linker/linker_1883.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1843 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C1=CC(NC(NC2=CC=C(C=C2)C3=CN(C4=NC=NC(N)=C34)CCCCC5=CN(N=N5)CCC(NC6=CC=CC7=C6CN(C7=O)C8CCC(NC8=O)=O)=O)=O)=NO1)(C)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF13 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCCC)=C1 O=C([R2])CCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 16.75/14.96 15.855 1 linker/linker_1887.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1844 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C1=CC(NC(NC2=CC=C(C=C2)C3=CN(C4=NC=NC(N)=C34)CCCCC5=CN(N=N5)CCC(NC6=CC=CC7=C6CN(C7=O)C8CCC(NC8=O)=O)=O)=O)=NO1)(C)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF13 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCCC)=C1 O=C([R2])CCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 32.74 32.74 1 linker/linker_1887.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1845 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C1=CC(NC(NC2=CC=C(C=C2)C3=CN(C4=NC=NC(N)=C34)CCCCC5=CN(N=N5)CCC(NC6=CC=CC7=C6CN(C7=O)C8CCC(NC8=O)=O)=O)=O)=NO1)(C)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF13 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCCC)=C1 O=C([R2])CCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 642.6 642.6 1 linker/linker_1887.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1846 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C1=CC(NC(NC2=CC=C(C=C2)C3=CN(C4=NC=NC(N)=C34)CCCCC5=CN(N=N5)CCC(NC6=CC=CC7=C6CN(C7=O)C8CCC(NC8=O)=O)=O)=O)=NO1)(C)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 3-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF13 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCN1N=NC(CCCC)=C1 O=C([R2])CCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 559.2 559.2 1 linker/linker_1887.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1847 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF14 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCCC)=C1 O=C([R2])CCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 13.2/11.71 12.455 1 linker/linker_1891.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1848 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF14 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCCC)=C1 O=C([R2])CCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 31.65 31.65 1 linker/linker_1891.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1849 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF14 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCCC)=C1 O=C([R2])CCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 533.2 533.2 1 linker/linker_1891.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1850 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 4-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide PF14 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCN1N=NC(CCCC)=C1 O=C([R2])CCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 575 575.0 1 linker/linker_1891.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1851 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF15 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 76.7 7.85 76.7 7.85 1 linker/linker_1895.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1852 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF15 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4.83/4.01 4.42 1 linker/linker_1895.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1853 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF15 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 120.1 120.1 1 linker/linker_1895.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1854 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 5-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide PF15 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 116.6 116.6 1 linker/linker_1895.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1855 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF16 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 0.82/2.1 1.46 1 linker/linker_1899.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1856 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF16 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 9.09 9.09 1 linker/linker_1899.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1857 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF16 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 193 193.0 1 linker/linker_1899.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1858 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 6-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide PF16 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCCCCCN1N=NC(CCCC)=C1 O=C([R2])CCCCCN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CCCCCC=O)N=N1 [R1]CCCCC1=CN(N=N1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 172.4 172.4 1 linker/linker_1899.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1859 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF17 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCCC)=C1 O=C([R2])CN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CC=O)N=N1 [R1]CCCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 12.32/17.05 14.685 1 linker/linker_1903.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1860 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF17 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCCC)=C1 O=C([R2])CN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CC=O)N=N1 [R1]CCCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 31.74 31.74 1 linker/linker_1903.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1861 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF17 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCCC)=C1 O=C([R2])CN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CC=O)N=N1 [R1]CCCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 656.7 656.7 1 linker/linker_1903.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1862 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(CC(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C)(C)C1=CC(NC(=O)NC2=CC=C(C3=CN(CCCCC4=CN(CC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=N4)C4=NC=NC(N)=C34)C=C2)=NO1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide PF17 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CCN1N=NC(CCCC)=C1 O=C([R2])CN1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(CC=O)N=N1 [R1]CCCCC1=CN(N=N1)CC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 722.8 722.8 1 linker/linker_1903.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1863 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF18 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCCC)=C1 O=C([R2])C(C)N1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(C(C)C=O)N=N1 [R1]CCCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 9.73/31.93 20.83 1 linker/linker_1907.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1864 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF18 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCCC)=C1 O=C([R2])C(C)N1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(C(C)C=O)N=N1 [R1]CCCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 23.14 23.14 1 linker/linker_1907.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1865 P36888 FMSLike tyrosine kinase 3 ITD D835V FLT3-ITD-D835V CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF18 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCCC)=C1 O=C([R2])C(C)N1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(C(C)C=O)N=N1 [R1]CCCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 719 719.0 1 linker/linker_1907.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1866 P36888 FMSLike tyrosine kinase 3 ITD F691L FLT3-ITD-F691L CC(C)(C1=CC(NC(NC2=CC=C(C3=CN(CCCCC4=CN(C(C)C(NC5=CC=CC6=C5CN(C7CCC(NC7=O)=O)C6=O)=O)N=N4)C8=NC=NC(N)=C38)C=C2)=O)=NO1)C CC(C(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)N1C=C(CCCCN2C=C(C3=CC=C(NC(=O)NC4=NOC(C(C)(C)C)=C4)C=C3)C3=C(N)N=CN=C32)N=N1 2-[4-[4-[4-amino-5-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]butyl]triazol-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide PF18 CC(C)(C)C1=CC(NC(NC2=CC=C(C=C2)C3=CN([R1])C4=NC=NC(N)=C34)=O)=NO1 O=CC(C)N1N=NC(CCCC)=C1 O=C([R2])C(C)N1N=NC(CCCC[R1])=C1 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C CCCCC1=CN(C(C)C=O)N=N1 [R1]CCCCC1=CN(N=N1)C(C)C(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 546.6 546.6 1 linker/linker_1907.sdf warhead/warhead_1839.sdf e3_ligand/e3_ligand_17.sdf 1867 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)NCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide 1A C[C@@H]1CC[C@]2(C([R1])=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC[C@H](O)C5(C)C NCCOCCOCC [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCOCCOCCN [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 760/630/450 613.3333333333334 1 linker/linker_416.sdf warhead/warhead_1911.sdf e3_ligand/e3_ligand_7.sdf 1868 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)NCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide 1B C[C@@H]1CC[C@]2(C([R1])=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC[C@H](O)C5(C)C NCCOCCOCCOCC [R1]NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCOCCOCCOCCN [R1]NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 230/390/380 333.3333333333333 1 linker/linker_1182.sdf warhead/warhead_1911.sdf e3_ligand/e3_ligand_7.sdf 1869 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)NCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide 1C C[C@@H]1CC[C@]2(C([R1])=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC[C@H](O)C5(C)C NCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 890/960/900 916.6666666666666 1 linker/linker_1767.sdf warhead/warhead_1911.sdf e3_ligand/e3_ligand_7.sdf 1870 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)OCCOC(CCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOC(=O)CCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C 2-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyloxy]ethyl (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 1D C[C@@H]1CC[C@@]2(CC[C@@]3(C([C@@H]2[C@H]1C)=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C(O[R1])=O CCOC(CCOCCOCCOCC)=O O=C(CCOCCOCCOCC[R2])OCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCOCCOCCOCCC(=O)OCC [R1]CCOC(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1530/1810/1590 1643.3333333333333 0 linker/linker_1914.sdf warhead/warhead_1914.sdf e3_ligand/e3_ligand_7.sdf 1871 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)OCCOC(CCOCCOCCN6N=NC(CNC7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)=C6)=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOC(=O)CCOCCOCCN2C=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)CC[C@H]1C 2-[3-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]propanoyloxy]ethyl (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate 1E C[C@@H]1CC[C@@]2(CC[C@@]3(C([C@@H]2[C@H]1C)=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C(O[R1])=O CCOC(CCOCCOCCN1N=NC(C)=C1)=O O=C(OCC[R1])CCOCCOCCN1N=NC(C[R2])=C1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]OC(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCOC(=O)CCOCCOCCN1C=C(C)N=N1 [R1]CCOC(=O)CCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1890/1870/1770 1843.3333333333333 0 linker/linker_1915.sdf warhead/warhead_1914.sdf e3_ligand/e3_ligand_7.sdf 1872 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C([C@]12CC[C@@H](C)[C@H](C)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC2)NCCCCCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC[C@H]1C (1S,2R,4aS,6aR,6aS,6bR,10S,12aR,14bS)-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxamide 1F C[C@@H]1CC[C@]2(C([R1])=O)CC[C@]3(C)C([C@@H]2[C@H]1C)=CC[C@H]4[C@@]3(C)CC[C@@H]5[C@]4(C)CC[C@H](O)C5(C)C NCCCCCCCC [R1]NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)[C@]12CC[C@H]([C@@H]([C@H]1C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C)C CCCCCCCCN [R1]NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1360/1470/1780 1536.6666666666667 0 linker/linker_312.sdf warhead/warhead_1911.sdf e3_ligand/e3_ligand_7.sdf 1873 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[4-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]butylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11a CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2620/15410/9570 9200.0 0 linker/linker_7.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1874 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[5-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]pentylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11b CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21180/51010/>100000 57396.66666666666 0 linker/linker_2.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1875 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[6-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]hexylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11c CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45040/50510/>100000 65183.333333333336 0 linker/linker_12.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1876 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[7-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]heptylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11d CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1230/10830/4230 5430.0 0 linker/linker_13.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1877 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[8-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]octylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11e CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2140/3150/2100 2463.333333333333 0 linker/linker_33.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1878 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCCCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC)=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[9-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]nonylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11f CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8390/17330/14810 13510.0 0 linker/linker_34.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_7.sdf 1879 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=CC=C(C3=CC=CC=C3)C=C2C)C=C1OC)CCC#CC4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4 COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C=C2C)=CC(OC)=C1CNCCNC(=O)CCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2,6-dimethoxy-4-[(2-methyl-4-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pent-4-ynamide 18a COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCC#C [R2]C#CCC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCC [R1]CCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7570/33310/>100000 46960.0 0 linker/linker_20.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_616.sdf 1880 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)C=C1OC)CCCC#CC4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4 COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hex-5-ynamide 18b COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCCC#C [R2]C#CCCC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCCC [R1]CCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000/80780/>100000 93593.33333333331 0 linker/linker_19.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_616.sdf 1881 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)C=C1OC)CCCCC#CC4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4 COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCCC#CC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 N-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hept-6-ynamide 18c COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCCCC#C [R2]C#CCCCC[R1] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCCCC [R1]CCCCC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25340/27010/10250 20866.666666666668 0 linker/linker_393.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_616.sdf 1882 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=CC=C(C3=CC=CC=C3)C=C2C)C=C1OC)CCC#CC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C=C2C)=CC(OC)=C1CNCCNC(=O)CCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2,6-dimethoxy-4-[(2-methyl-4-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pent-4-ynamide 21a COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCC#C [R2]C#CCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCC [R1]CCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22050/30880/>100000 50976.66666666666 0 linker/linker_20.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_16.sdf 1883 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)C=C1OC)CCCC#CC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hex-5-ynamide 21b COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCCC#C [R2]C#CCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCCC [R1]CCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7570/>100000/>100000 69190.0 0 linker/linker_19.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_16.sdf 1884 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNCC1=C(OC)C=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)C=C1OC)CCCCC#CC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCNC(=O)CCCCC#CC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]ethyl]-7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hept-6-ynamide 21c COC1=CC(OCC2=C(C(C3=CC=CC=C3)=CC=C2)C)=CC(OC)=C1CNCCNC([R1])=O CCCCC#C [R2]C#CCCCC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NCCNCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC C#CCCCC [R1]CCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5980/15960/>100000 40646.66666666666 0 linker/linker_393.sdf warhead/warhead_1923.sdf e3_ligand/e3_ligand_16.sdf 1885 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCC(=O)NCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethyl]acetamide 30a CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CC(NCCNC(CO)=O)=O O=C(NCCNC(CO[R2])=O)C[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CC(=O)NCCNC(=O)CO [R1]CC(=O)NCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12080/57590/>100000 56556.66666666666 0 linker/linker_1929.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1886 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CNCC4=C(OC)C=C(OCC5=CC=C(C6=CC=CC=C6)C(C)=C5)C=C4OC COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[2,6-dimethoxy-4-[(3-methyl-4-phenylphenyl)methoxy]phenyl]methylamino]-N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]acetamide 30b CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CC(NCCCNC(CO)=O)=O O=C(NCCCNC(CO[R2])=O)C[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CC(=O)NCCCNC(=O)CO [R1]CC(=O)NCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17880/19200/>100000 45693.333333333336 0 linker/linker_1930.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1887 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CNCC4=C(OC)C=C(OCC5=CC=C(C6=CC=CC=C6)C(C)=C5)C=C4OC COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[2,6-dimethoxy-4-[(3-methyl-4-phenylphenyl)methoxy]phenyl]methylamino]-N-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]acetamide 30c CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CC(NCCCCCNC(CO)=O)=O O=C(NCCCCCNC(CO[R2])=O)C[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CC(=O)NCCCCCNC(=O)CO [R1]CC(=O)NCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5910/18550/26330 16930.0 0 linker/linker_1931.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1888 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CNCC4=C(OC)C=C(OCC5=CC=C(C6=CC=CC=C6)C(C)=C5)C=C4OC COC1=CC(OCC2=CC=C(C3=CC=CC=C3)C(C)=C2)=CC(OC)=C1CNCC(=O)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[[2,6-dimethoxy-4-[(3-methyl-4-phenylphenyl)methoxy]phenyl]methylamino]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]acetamide 30d CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CC(NCCCCCCNC(CO)=O)=O O=C(NCCCCCCNC(CO[R2])=O)C[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CC(=O)NCCCCCCNC(=O)CO [R1]CC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7323/7110/10520 8317.666666666666 0 linker/linker_1932.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1889 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]propanamide 30e CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCC(NCCCNC(CO)=O)=O O=C(NCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCC(=O)NCCCNC(=O)CO [R1]CCC(=O)NCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16660/67610/>100000 61423.333333333336 0 linker/linker_1933.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1890 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]propanamide 30f CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCC(NCCCCNC(CO)=O)=O O=C(NCCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCC(=O)NCCCCNC(=O)CO [R1]CCC(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 27410/28650/>100000 52020.0 0 linker/linker_1137.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1891 Q9NZQ7 Programmed cell death-ligand 1 PD-L1 CD274 B7H1 O=C(NCCCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CCNCC4=C(OC)C=C(OCC5=C(C)C(C6=CC=CC=C6)=CC=C5)C=C4OC COC1=CC(OCC2=CC=CC(C3=CC=CC=C3)=C2C)=CC(OC)=C1CNCCC(=O)NCCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]propanamide 30g CC1=C(COC2=CC(OC)=C(CN[R1])C(OC)=C2)C=CC=C1C3=CC=CC=C3 CCC(NCCCCCCNC(CO)=O)=O O=C(NCCCCCCNC(CO[R2])=O)CC[R1] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]NCC1=C(C=C(C=C1OC)OCC2=C(C(=CC=C2)C3=CC=CC=C3)C)OC CCC(=O)NCCCCCCNC(=O)CO [R1]CCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12990/14860/>100000 42616.66666666666 0 linker/linker_1138.sdf warhead/warhead_1917.sdf e3_ligand/e3_ligand_16.sdf 1892 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C1N(CC=C)N(C2=CC=CC(C(C)(O)C)=N2)C3=NC(NC(C=C4)=CC=C4N(CC5)CCN5CCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)=NC=C31 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2(MA055) MA055 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2400/7000/5200 4866.666666666667 0 linker/linker_10.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_27.sdf 1893 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C1N(CC=C)N(C2=CC=CC(C(C)(C)O)=N2)C3=NC(NC4=CC=C(C=C4)N5CCN(CCCC(NCCOCCOCCNC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)=O)CC5)=NC=C31 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butanamide 12(MA071) MA071 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCC(NCCOCCOCC)=O O=C(NCCOCCOCC[R2])CCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCC(=O)NCCOCCOCC [R1]CCCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7900/14000/16600 12833.333333333334 0 linker/linker_1938.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 1894 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCOC2=CC=C(C3=CSC(N4CCOCC4)=N3)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]butanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3 [R1]C1=CC=C(C=C1)C2=CSC(N3CCOCC3)=N2 CCCO [R1]OCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CSC(=N2)N3CCOCC3 CCCO [R1]OCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 350 350.0 1 linker/linker_1098.sdf warhead/warhead_1939.sdf e3_ligand/e3_ligand_23.sdf 1895 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCCOC2=CC=C(C3=CSC(N4CCOCC4)=N3)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6 [R1]C1=CC=C(C=C1)C2=CSC(N3CCOCC3)=N2 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CSC(=N2)N3CCOCC3 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 320 320.0 1 linker/linker_1665.sdf warhead/warhead_1939.sdf e3_ligand/e3_ligand_23.sdf 1896 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCCOC2=CC=C(C3=CSC(N4C(C)COCC4)=N3)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOCC5C)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]phenoxy]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 [R1]C1=CC=C(C2=CSC(N3C(C)COCC3)=N2)C=C1 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CSC(=N2)N3CCOCC3C CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1665.sdf warhead/warhead_1941.sdf e3_ligand/e3_ligand_23.sdf 1897 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCCOC2=CC=C(C3=CSC(N4CC(C)(C)OCC4)=N3)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CCOC(C)(C)C5)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 12 [R1]C1=CC=C(C2=CSC(N3CC(C)(C)OCC3)=N2)C=C1 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CSC(=N2)N3CCOC(C3)(C)C CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1665.sdf warhead/warhead_1942.sdf e3_ligand/e3_ligand_23.sdf 1898 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCCOC2=CC=C(C3=CSC(N4CC(O5)CCC5C4)=N3)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(C4=CSC(N5CC6CCC(C5)O6)=N4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]phenoxy]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 [R1]C1=CC=C(C2=CSC(N3CC(O4)CCC4C3)=N2)C=C1 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)C2=CSC(=N2)N3CC4CCC(C3)O4 CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1665.sdf warhead/warhead_1943.sdf e3_ligand/e3_ligand_23.sdf 1899 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(CCCCOC2=CC=C(C3=CSC(N4CCOCC4)=N3)C(OC)=C2F)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C COC1=C(C2=CSC(N3CCOCC3)=N2)C=CC(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=C1F (2S,4R)-1-[(2S)-2-[5-[2-fluoro-3-methoxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 20 [R1]C1=CC=C(C2=CSC(N3CCOCC3)=N2)C(OC)=C1F CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=C(C(=C(C=C1)C2=CSC(=N2)N3CCOCC3)OC)F CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1665.sdf warhead/warhead_1944.sdf e3_ligand/e3_ligand_23.sdf 1900 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCC(CN(CC6=C7)CC6=CC(C8=O)=C7C(N8C9CCC(NC9=O)=O)=O)CC5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 311 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCC(C)CC1)C2=CC=CC=C2 O=C(N1CCC(C[R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C CC1CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1945.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1901 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 39 ARD-1676 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.1/1.1 11.5 0.6000000000000001 11.5 1 linker/linker_1946.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 1902 P10275 Androgen receptor T878A AR T878A ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 39 ARD-1676 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 1.1 2.8 1.1 2.8 1 linker/linker_1946.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 1903 P10275 Androgen receptor L702H and T878A AR L702H and T878A ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 39 ARD-1676 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 8 8.0 1 linker/linker_1946.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 1904 P10275 Androgen receptor AR DHTR NR3C4 O=C(CCC1N2C(C3=C(C2=O)C=C4CN(C(CC5)CCN5C(C6=CC=C(N(CC7)CCC87C(C)N(CC8)C9=C(C)C(Cl)=C(C=C9)C#N)C=C6)=O)CC4=C3)=O)NC1=O CC1=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2C)C=CC(C#N)=C1Cl 2-chloro-4-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidine-1-carbonyl]phenyl]-1-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-methylbenzonitrile 355 ClC1=C(C#N)C=CC(N(CC2)C(C)C32CCN([R1])CC3)=C1C O=C(N1CCCCC1)C2=CC=CC=C2 O=C(N1CCC([R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)CCN(C2C)C3=C(C(=C(C=C3)C#N)Cl)C O=C(C1=CC=CC=C1)N1CCCCC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1949.sdf warhead/warhead_1949.sdf e3_ligand/e3_ligand_1901.sdf 1905 P10275 Androgen receptor AR DHTR NR3C4 O=C(CCC1N2C(C3=C(C2=O)C=C4CN(CC(CC5)CCN5C(C6=CC=C(N(CC7)CCC87C(C)N(CC8)C9=C(C)C(Cl)=C(C=C9)C#N)C=C6)=O)CC4=C3)=O)NC1=O CC1=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2C)C=CC(C#N)=C1Cl 2-chloro-4-[8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-1-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-methylbenzonitrile 356 ClC1=C(C#N)C=CC(N(CC2)C(C)C32CCN([R1])CC3)=C1C O=C(N1CCC(C)CC1)C2=CC=CC=C2 O=C(N1CCC(C[R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)CCN(C2C)C3=C(C(=C(C=C3)C#N)Cl)C CC1CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1945.sdf warhead/warhead_1949.sdf e3_ligand/e3_ligand_1901.sdf 1906 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCC(OC)(CN(CC6=C7)CC6=CC(C8=O)=C7C(N8C9CCC(NC9=O)=O)=O)CC5)=O)C=C4)CC3)C2)C)=C1)C#N COC1(CN2CC3=CC4=C(C=C3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN(C(=O)C2=CC=C(N3CCC4(CC3)C[C@H](C)N(C3=CC=C(C#N)C(Cl)=C3)C4)C=C2)CC1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]-4-methoxypiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 366 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCC(OC)(C)CC1)C2=CC=CC=C2 O=C(N1CCC(OC)(C[R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C COC1(C)CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C[R2])OC [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1951.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1907 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)(OC)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N COC1(CN2CC3=CC4=C(C=C3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CCN(C(=O)C2=CC=C(N3CCC4(CC3)C[C@H](C)N(C3=CC=C(C#N)C(Cl)=C3)C4)C=C2)CC1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]-4-methoxypiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 46 ARD-1684 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1(OC)CCNCC1 COC1(C[R2])CCN([R1])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C COC1(C)CCNCC1 [R1]N1CCC(CC1)(C[R2])OC [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.3/1.0 4.9 0.65 4.9 1 linker/linker_1952.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 1908 P10275 Androgen receptor AR DHTR NR3C4 O=C(CCC1N2C(C3=C(C2=O)C=C4CN(C(CC5)CCN5C(C6=CC=C(N(CC7)CCC7(CN8C9=CC(Cl)=C(C=C9)C#N)C[C@@H]8CC)C=C6)=O)CC4=C3)=O)NC1=O CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidine-1-carbonyl]phenyl]-3-ethyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 367 CC[C@H]1CC2(CN1C3=CC(Cl)=C(C#N)C=C3)CCN([R1])CC2 O=C(N1CCCCC1)C2=CC=CC=C2 O=C(N1CCC([R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)CC O=C(C1=CC=CC=C1)N1CCCCC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1949.sdf warhead/warhead_1953.sdf e3_ligand/e3_ligand_1901.sdf 1909 P10275 Androgen receptor AR DHTR NR3C4 O=C(N1CCN(C2CN(C3=CC4=C(C(N(C5CCC(NC5=O)=O)C4=O)=O)C=C3)C2)CC1)C6=CC=C(N(CC7)CCC7(CN8C9=CC(Cl)=C(C=C9)C#N)C[C@@H]8CC)C=C6 CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-ethyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 368 CC[C@H]1CC2(CN1C3=CC(Cl)=C(C#N)C=C3)CCN([R1])CC2 O=C(N1CCN(C2CNC2)CC1)C3=CC=CC=C3 O=C(N1CCN(C2CN([R2])C2)CC1)C3=CC=C([R1])C=C3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)CC O=C(C1=CC=CC=C1)N1CCN(C2CNC2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >=90/>=90 90.0 1 linker/linker_1954.sdf warhead/warhead_1953.sdf e3_ligand/e3_ligand_616.sdf 1910 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CC(CN(CC6=C7)CC6=CC(C8=O)=C7C(N8C9CCC(NC9=O)=O)=O)C5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]azetidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 372 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CC(C)C1)C2=CC=CC=C2 O=C(N1CC(C[R2])C1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C CC1CN(C(=O)C2=CC=CC=C2)C1 [R1]C1=CC=C(C=C1)C(=O)N2CC(C2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1955.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1911 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)C5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]azetidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 44 ARD-1690 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CNC1 [R1]N1CC(C[R2])C1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CNC1 [R1]N1CC(C1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.5/2.9 25.7 1.7 25.7 1 linker/linker_1956.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 1912 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCC(F)(CN(CC6=C7)CC6=CC(C8=O)=C7CN8C9CCC(NC9=O)=O)CC5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(F)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-6-yl]methyl]-4-fluoropiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 373 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCC(F)(C)CC1)C2=CC=CC=C2 O=C(N1CCC(F)(C[R2])CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2CC3=C(C=C4CN([R2])CC4=C3)C2=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C CC1(F)CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)(C[R2])F [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1957.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1913.sdf 1913 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCC6(CC(N(CC7=C8)CC7=CC(C9=O)=C8C(N9C%10CCC(NC%10=O)=O)=O)C6)CC5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC5(CC4)CC(N4CC6=CC7=C(C=C6C4)C(=O)N(C4CCC(=O)NC4=O)C7=O)C5)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 377 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCC2(CCC2)CC1)C3=CC=CC=C3 O=C(N1CCC2(CC([R2])C2)CC1)C3=CC=C([R1])C=C3 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C O=C(C1=CC=CC=C1)N1CCC2(CCC2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CC(C3)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=50/>=90 70.0 1 linker/linker_1958.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1914 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCN(CC(N(CC6=C7)CC6=CC(C8=O)=C7C(N8C9CCC(NC9=O)=O)=O)=O)CC5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC(=O)N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 402 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCN(CC=O)CC1)C2=CC=CC=C2 O=C(N1CCN(CC([R2])=O)CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C O=CCN1CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC(=O)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1959.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1915 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C=CC(N2[C@H](CC3(CCN(C4=CC=C(C(N5CCN(C(CN(CC6=C7)CC6=CC(C8=O)=C7C(N8C9CCC(NC9=O)=O)=O)=O)CC5)=O)C=C4)CC3)C2)C)=C1)C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]acetyl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 404 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCN(C(C)=O)CC1)C2=CC=CC=C2 O=C(N1CCN(C(C[R2])=O)CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2C(C3=C(C=C4CN([R2])CC4=C3)C2=O)=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C CC(=O)N1CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1960.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1901.sdf 1916 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N2[C@@H](C)CC3(C2)CCN(CC3)C4=CC=C(C=C4)C(N5CCN(CC5)C(CN6CC7=CC8=C(CN(C9CCC(NC9=O)=O)C8=O)C=C7C6)=O)=O)=C1 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-6-yl]acetyl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 405 ClC1=C(C#N)C=CC(N([C@@H](C)C2)CC32CCN([R1])CC3)=C1 O=C(N1CCN(C(C)=O)CC1)C2=CC=CC=C2 O=C(N1CCN(C(C[R2])=O)CC1)C2=CC=C([R1])C=C2 O=C(N1)CCC(N2CC3=C(C=C4CN([R2])CC4=C3)C2=O)C1=O CRBN Q96SW2 [R1]N1CCC2(CC1)C[C@@H](N(C2)C3=CC(=C(C=C3)C#N)Cl)C CC(=O)N1CCN(C(=O)C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3)C4CCC(=O)NC4=O >=90/>=90 90.0 1 linker/linker_1960.sdf warhead/warhead_1945.sdf e3_ligand/e3_ligand_1913.sdf 1917 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(C=CC(N2CCC(CC2)OCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=C1)NC(C6=CC=CC(C7=CC=NN7)=N6)=O COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 N-[4-[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]piperidin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide 64 COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4CCC([R1])CC4)=C1 OC [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC CO [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16 16.0 1 linker/linker_134.sdf warhead/warhead_1962.sdf e3_ligand/e3_ligand_27.sdf 1918 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(C=CC(N2CCC(CC2)OCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=C1)NC(C6=CC=CC(C7=CC=NN7)=N6)=O COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 N-[4-[4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]piperidin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide 65 COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4CCC([R1])CC4)=C1 OC [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC CO [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 1 linker/linker_134.sdf warhead/warhead_1962.sdf e3_ligand/e3_ligand_23.sdf 1919 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(C=CC(N2CCN(CC2)C(OCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)=O)=C1)NC(C6=CC=CC(C7=CC=NN7)=N6)=O COC1=CC(N2CCN(C(=O)OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 [2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl] 4-[3-methoxy-4-[[6-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]phenyl]piperazine-1-carboxylate 76 COC1=C(C=CC(N2CCN(CC2)[R1])=C1)NC(C3=CC=CC(C4=CC=NN4)=N3)=O O=COC O=C([R1])OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC COC=O [R1]C(=O)OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16 16.0 1 linker/linker_1964.sdf warhead/warhead_1964.sdf e3_ligand/e3_ligand_27.sdf 1920 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4CCN(C(OCC(N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)=O)CC4)=C1 COC1=CC(N2CCN(C(=O)OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 [2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl] 4-[3-methoxy-4-[[6-(1H-pyrazol-5-yl)pyridine-2-carbonyl]amino]phenyl]piperazine-1-carboxylate 77 COC1=C(C=CC(N2CCN(CC2)[R1])=C1)NC(C3=CC=CC(C4=CC=NN4)=N3)=O O=COC O=C([R1])OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC COC=O [R1]C(=O)OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9 9.0 1 linker/linker_1964.sdf warhead/warhead_1964.sdf e3_ligand/e3_ligand_23.sdf 1921 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4CCC(OCC(N[C@H](C(N5C[C@@H](C[C@H]5C(NCC6=C(F)C=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)CC4)=C1 COC1=CC(N2CCC(OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3F)C(C)(C)C)CC2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 N-[4-[4-[2-[[(2S)-1-[(2S,4R)-2-[[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]piperidin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide 90 COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4CCC([R1])CC4)=C1 OC [R1]OC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=C(F)C=C(C3=C(C)N=CS3)C=C2)=O)=O VHL P40337 [R1]C1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC CO [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=C(C=C(C=C2)C3=C(N=CS3)C)F)O)C(C)(C)C 13 13.0 1 linker/linker_134.sdf warhead/warhead_1962.sdf e3_ligand/e3_ligand_1922.sdf 1922 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4[C@@H](C)C[C@H](OCC(N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)CC4)=C1 COC1=CC(N2CC[C@@H](OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C[C@@H]2C)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 N-[4-[(2S,4R)-4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]-2-methylpiperidin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide 96 COC1=C(C=CC(N2CC[C@H](C[C@@H]2C)[R1])=C1)NC(C3=CC=CC(C4=CC=NN4)=N3)=O OC [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@@H]1CCN([C@H](C1)C)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC CO [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13 13.0 1 linker/linker_134.sdf warhead/warhead_1967.sdf e3_ligand/e3_ligand_23.sdf 1923 P51617 Interleukin-1 receptor-associated kinase 1 IRAK1 IRAK COC1=C(NC(C2=CC=CC(C3=CC=NN3)=N2)=O)C=CC(N4C[C@@H](C)[C@H](OCC(N[C@H](C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)C(C)(C)C)=O)CC4)=C1 COC1=CC(N2CC[C@@H](OCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)[C@H](C)C2)=CC=C1NC(=O)C1=CC=CC(C2=CC=N[NH]2)=N1 N-[4-[(3R,4R)-4-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]-3-methylpiperidin-1-yl]-2-methoxyphenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide 98-01 COC1=C(C=CC(N2CC[C@H]([C@H](C)C2)[R1])=C1)NC(C3=CC=CC(C4=CC=NN4)=N3)=O OC [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@@H]1CCN(C[C@H]1C)C2=CC(=C(C=C2)NC(=O)C3=CC=CC(=N3)C4=CC=NN4)OC CO [R1]OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 21 21.0 1 linker/linker_134.sdf warhead/warhead_1968.sdf e3_ligand/e3_ligand_23.sdf 1924 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C6=CN(CCOCCOCCOCCOCCNC7=CC=CC8=C7C(N(C9CCC(NC9=O)=O)C8=O)=O)N=N6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazole-4-carbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 13 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCOCCOCCOCCOCCN1N=NC=C1 [R1]C1=CN(CCOCCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 68 68.0 1 linker/linker_1969.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_7.sdf 1925 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C6=CN(CCOCCOCCOCCOCCOCCNC7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)N=N6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazole-4-carbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 14 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCOCCOCCOCCOCCOCCN1N=NC=C1 [R1]C1=CN(CCOCCOCCOCCOCCOCC[R2])N=N1 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCOCCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78 78.0 1 linker/linker_1970.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_250.sdf 1926 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C6=CN(CCOCCOCCOCCOCCOCCNC7=CC=CC8=C7C(N(C9CCC(NC9=O)=O)C8=O)=O)N=N6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazole-4-carbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 15 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCOCCOCCOCCOCCOCCN1N=NC=C1 [R1]C1=CN(CCOCCOCCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCOCCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 78 78.0 1 linker/linker_1970.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_7.sdf 1927 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C6=CN(CCOCCOCCOCCOCCOCCOCCNC7=CC=CC8=C7C(N(C9CCC(NC9=O)=O)C8=O)=O)N=N6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazole-4-carbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 16 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCOCCOCCOCCOCCOCCOCCN1N=NC=C1 [R1]C1=CN(CCOCCOCCOCCOCCOCCOCC[R2])N=N1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCOCCOCCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 107 107.0 1 linker/linker_1972.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_7.sdf 1928 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C6=CN(CCOCCOCC(NC7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)=O)N=N6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)C4=CN(CCOCCOCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)N=N4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethyl]triazole-4-carbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 24 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O O=CCOCCOCCN1N=NC=C1 O=C([R2])COCCOCCN1N=NC([R1])=C1 [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N O=CCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCC(=O)[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 34 34.0 1 linker/linker_1973.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_250.sdf 1929 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCC6=CC=C(N7CCN(C8=CC9=C(C(N(C%10CCC(NC%10=O)=O)C9=O)=O)C=C8)CC7)C=C6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCC4=CC=C(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[3-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]phenyl]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 40 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCC1=CC=C(N2CCNCC2)C=C1 [R1]CCC1=CC=C(N2CCN([R2])CC2)C=C1 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCC1=CC=C(N2CCNCC2)C=C1 [R1]CCC1=CC=C(C=C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 74 74.0 1 linker/linker_1974.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_616.sdf 1930 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCCC6=CC=C(NC(CNC7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)=O)C=C6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCCC4=CC=C(NC(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C=C4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[4-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]phenyl]butanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 58 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCCC1=CC=C(NC(C)=O)C=C1 O=C(C[R2])NC(C=C1)=CC=C1CCC[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCCC1=CC=C(NC(C)=O)C=C1 [R1]CCCC1=CC=C(C=C1)NC(=O)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28 28.0 1 linker/linker_1975.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_250.sdf 1931 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCN6CCN(C(CNC7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)=O)CC6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCN4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[3-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]piperazin-1-yl]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 63 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCN1CCN(C(C)=O)CC1 O=C(C[R2])N(CC1)CCN1CC[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCN1CCN(C(C)=O)CC1 [R1]CCN1CCN(CC1)C(=O)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.9 2.9 1 linker/linker_1976.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_250.sdf 1932 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCN(C)CC6CCN(C7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)CC6)=O)=O CN(CCC(=O)N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1)CC1CCN(C2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 (7S)-7-[1-[3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl-methylamino]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 64 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCN(C)CC1CCNCC1 CN(CC[R1])CC1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCN(C)CC1CCNCC1 [R1]CCN(C)CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 35 35.0 1 linker/linker_1977.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_616.sdf 1933 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCC6CCC(N7CCN(C8=CC9=C(C(N(C%10CCC(NC%10=O)=O)C9=O)=O)C=C8)CC7)CC6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCC4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[3-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]cyclohexyl]propanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 151 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCC1CCC(N2CCNCC2)CC1 [R1]CCC1CCC(N2CCN([R2])CC2)CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCC1CCC(N2CCNCC2)CC1 [R1]CCC1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17 17.0 1 linker/linker_1978.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_616.sdf 1934 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(CCCN6CCN(C(CNC7=CC8=C(C(N(C9CCC(NC9=O)=O)C8=O)=O)C=C7)=O)CC6)=O)=O NC(=O)C1=C2NCC[C@@H](C3CCN(C(=O)CCCN4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)N2N=C1C1=CC=C(OC2=CC=CC=C2)C=C1 (7S)-7-[1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]piperazin-1-yl]butanoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 152 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CCCN1CCN(C(C)=O)CC1 O=C(C[R2])N(CC1)CCN1CCC[R1] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CCCN1CCN(C(C)=O)CC1 [R1]CCCN1CCN(CC1)C(=O)C[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 35 35.0 1 linker/linker_1979.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_250.sdf 1935 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C(C(C1=CC=C(C=C1)OC2=CC=CC=C2)=NN34)=C4NCC[C@H]3C(CC5)CCN5C(C(C6)CC6N(C)CC7CCN(C(C(C=C8)=CC=C8N(CC9)C(NC9=O)=O)=O)CC7)=O)=O CN(CC1CCN(C(=O)C2=CC=C(N3CCC(=O)NC3=O)C=C2)CC1)C1CC(C(=O)N2CCC([C@@H]3CCNC4=C(C(N)=O)C(C5=CC=C(OC6=CC=CC=C6)C=C5)=NN43)CC2)C1 (7S)-7-[1-[3-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]methyl-methylamino]cyclobutanecarbonyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide 155 [R1]C(N1CCC([C@@H]2CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN23)CC1)=O CN(CC1CCN(CC1)C=O)C2CCC2 CN(CC1CCN(CC1)C([R2])=O)C2CC([R1])C2 O=C(N1)N(C2=CC=C([R2])C=C2)CCC1=O CRBN Q96SW2 [R1]C(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N CN(CC1CCN(C=O)CC1)C1CCC1 [R1]C1CC(C1)N(C)CC2CCN(CC2)C(=O)[R2] [R2]C1=CC=C(C=C1)N2CCC(=O)NC2=O 7.2 7.2 1 linker/linker_1980.sdf warhead/warhead_1969.sdf e3_ligand/e3_ligand_1936.sdf 1936 Q9H8M2 Bromodomain-containing protein 9 BRD9 CC(C(C(C=C1OC)=CC(OC)=C1CCN2CCC(OC3CCN(CC3)C(C4=CC=C(Cl)C(N(C5=O)CCC(N5)=O)=C4)=O)CC2)=CN6C)=C(C)C6=O COC1=CC(C2=CN(C)C(=O)C(C)=C2C)=CC(OC)=C1CCN1CCC(OC2CCN(C(=O)C3=CC=C(Cl)C(N4CCC(=O)NC4=O)=C3)CC2)CC1 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxopyridin-3-yl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione A21 CC1=C(C)C(N(C)C=C1C2=CC(OC)=C([R1])C(OC)=C2)=O CCN1CCC(CC1)OC2CCN(C=O)CC2 O=C([R2])N(CC1)CCC1OC(CC2)CCN2CC[R1] O=C(N(CC1)C2=CC([R2])=CC=C2Cl)NC1=O CRBN Q96SW2 [R1]C1=C(C=C(C=C1OC)C2=CN(C(=O)C(=C2C)C)C)OC CCN1CCC(OC2CCN(C=O)CC2)CC1 [R1]CCN1CCC(CC1)OC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)Cl)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1981.sdf warhead/warhead_1981.sdf e3_ligand/e3_ligand_1937.sdf 1937 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC(C=C(C=C1OC)C2=CN(C)C(C3=C2C=CN=C3)=O)=C1CCN4CCC(OC5CCN(CC5)C(C6=CC=C(Cl)C(N(C7=O)CCC(N7)=O)=C6)=O)CC4 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=CC(OC)=C1CCN1CCC(OC2CCN(C(=O)C3=CC=C(Cl)C(N4CCC(=O)NC4=O)=C3)CC2)CC1 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione A38 [R1]C1=C(OC)C=C(C2=CN(C)C(C3=C2C=CN=C3)=O)C=C1OC CCN1CCC(CC1)OC2CCN(C=O)CC2 O=C([R2])N(CC1)CCC1OC(CC2)CCN2CC[R1] O=C(N(CC1)C2=CC([R2])=CC=C2Cl)NC1=O CRBN Q96SW2 [R1]C1=C(C=C(C=C1OC)C2=CN(C(=O)C3=C2C=CN=C3)C)OC CCN1CCC(OC2CCN(C=O)CC2)CC1 [R1]CCN1CCC(CC1)OC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)Cl)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1981.sdf warhead/warhead_1982.sdf e3_ligand/e3_ligand_1937.sdf 1938 Q9H8M2 Bromodomain-containing protein 9 BRD9 CCCCN1C(C(C=NC=C2)=C2C(C3=CC=C(OC4CCN(CC5CCN(CC5)C(C6=CC(N(C7=O)CCC(N7)=O)=C(Cl)C=C6)=O)CC4)C(OC)=C3)=C1)=O CCCCN1C=C(C2=CC=C(OC3CCN(CC4CCN(C(=O)C5=CC=C(Cl)C(N6CCC(=O)NC6=O)=C5)CC4)CC3)C(OC)=C2)C2=CC=NC=C2C1=O 1-[5-[4-[[4-[4-(2-butyl-1-oxo-2,7-naphthyridin-4-yl)-2-methoxyphenoxy]piperidin-1-yl]methyl]piperidine-1-carbonyl]-2-chlorophenyl]-1,3-diazinane-2,4-dione B6 CCCCN1C=C(C2=CC(OC)=C(O[R1])C=C2)C3=C(C=NC=C3)C1=O O=CN(CC1)CCC1CN2CCCCC2 O=C([R2])N(CC1)CCC1CN2CCC([R1])CC2 O=C(N(CC1)C2=CC([R2])=CC=C2Cl)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C(C=C1)C2=CN(C(=O)C3=C2C=CN=C3)CCCC)OC O=CN1CCC(CN2CCCCC2)CC1 [R1]C1CCN(CC1)CC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)Cl)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1983.sdf warhead/warhead_1983.sdf e3_ligand/e3_ligand_1937.sdf 1939 Q9H8M2 Bromodomain-containing protein 9 BRD9 CCCCN1C(C(C=NC=C2)=C2C(C3=CC(OC)=C(OC4CCN(CC5CCN(CC5)C(C6=CC(N(C7=O)CCC(N7)=O)=C(Cl)C=C6)=O)CC4)C(OC)=C3)=C1)=O CCCCN1C=C(C2=CC(OC)=C(OC3CCN(CC4CCN(C(=O)C5=CC=C(Cl)C(N6CCC(=O)NC6=O)=C5)CC4)CC3)C(OC)=C2)C2=CC=NC=C2C1=O 1-[5-[4-[[4-[4-(2-butyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-dimethoxyphenoxy]piperidin-1-yl]methyl]piperidine-1-carbonyl]-2-chlorophenyl]-1,3-diazinane-2,4-dione B9 CCCCN1C=C(C2=CC(OC)=C([R1])C(OC)=C2)C3=C(C=NC=C3)C1=O OC1CCN(CC1)CC2CCN(C=O)CC2 O=C([R2])N(CC1)CCC1CN(CC2)CCC2O[R1] O=C(N(CC1)C2=CC([R2])=CC=C2Cl)NC1=O CRBN Q96SW2 [R1]C1=C(C=C(C=C1OC)C2=CN(C(=O)C3=C2C=CN=C3)CCCC)OC O=CN1CCC(CN2CCC(O)CC2)CC1 [R1]OC1CCN(CC1)CC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)Cl)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1984.sdf warhead/warhead_1984.sdf e3_ligand/e3_ligand_1937.sdf 1940 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC1=C(N(C2=O)CCC(N2)=O)C=C(C(N3CCC(CC3)CN4CC[C@H](OC(C(OC)=C5)=CC=C5C6=CN(CCCC)C(C7=C6C=CN=C7)=O)[C@@H](F)C4)=O)C=C1 CCCCN1C=C(C2=CC=C(O[C@H]3CCN(CC4CCN(C(=O)C5=CC=C(OC)C(N6CCC(=O)NC6=O)=C5)CC4)C[C@@H]3F)C(OC)=C2)C2=CC=NC=C2C1=O 1-[5-[4-[[(3S,4S)-4-[4-(2-butyl-1-oxo-2,7-naphthyridin-4-yl)-2-methoxyphenoxy]-3-fluoropiperidin-1-yl]methyl]piperidine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione E32 CCCCN1C=C(C2=CC(OC)=C(O[R1])C=C2)C3=C(C=NC=C3)C1=O F[C@@H](C1)CCCN1CC(CC2)CCN2C=O F[C@H]1CN(CC2CCN(C([R2])=O)CC2)CC[C@@H]1[R1] O=C(N(CC1)C2=C(OC)C=CC([R2])=C2)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C(C=C1)C2=CN(C(=O)C3=C2C=CN=C3)CCCC)OC O=CN1CCC(CN2CCC[C@@H](F)C2)CC1 [R1][C@H]1CCN(C[C@@H]1F)CC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1985.sdf warhead/warhead_1983.sdf e3_ligand/e3_ligand_1941.sdf 1941 Q9H8M2 Bromodomain-containing protein 9 BRD9 COC1=C(N(C2=O)CCC(N2)=O)C=C(C(N3CCC(CC3)CN4CC[C@H](OC5=C(F)C=C(C=C5F)C6=CN(CCCC)C(C7=C6C=CN=C7)=O)[C@@H](F)C4)=O)C=C1 CCCCN1C=C(C2=CC(F)=C(O[C@H]3CCN(CC4CCN(C(=O)C5=CC=C(OC)C(N6CCC(=O)NC6=O)=C5)CC4)C[C@@H]3F)C(F)=C2)C2=CC=NC=C2C1=O 1-[5-[4-[[(3S,4S)-4-[4-(2-butyl-1-oxo-2,7-naphthyridin-4-yl)-2,6-difluorophenoxy]-3-fluoropiperidin-1-yl]methyl]piperidine-1-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione E56 CCCCN1C=C(C2=CC(F)=C(O[R1])C(F)=C2)C3=C(C=NC=C3)C1=O F[C@@H](C1)CCCN1CC(CC2)CCN2C=O F[C@H]1CN(CC2CCN(C([R2])=O)CC2)CC[C@@H]1[R1] O=C(N(CC1)C2=C(OC)C=CC([R2])=C2)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C(C=C1F)C2=CN(C(=O)C3=C2C=CN=C3)CCCC)F O=CN1CCC(CN2CCC[C@@H](F)C2)CC1 [R1][C@H]1CCN(C[C@@H]1F)CC2CCN(CC2)C(=O)[R2] [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 1 1.0 1 linker/linker_1985.sdf warhead/warhead_1986.sdf e3_ligand/e3_ligand_1941.sdf 1942 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC(C(N(CCN1C2=CC=CC(CN3CCN(C(C4CCN(CC4)C5=CC(C6=O)=C(C(N6C(CCC7=O)C(N7)=O)=O)C=C5)=O)CC3)=C2)CC81CC8)=C9)=NN=C9C%10=C(O)C=CC=C%10 NC1=NN=C(C2=CC=CC=C2O)C=C1N1CCN(C2=CC=CC(CN3CCN(C(=O)C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)=C2)C2(CC2)C1 5-[4-[4-[[3-[7-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-4,7-diazaspiro[2.5]octan-4-yl]phenyl]methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 127 NC1=NN=C(C2=CC=CC=C2O)C=C1N(CCN3[R1])CC43CC4 O=C(N1CCN(CC1)CC2=CC=CC=C2)C3CCNCC3 O=C(N1CCN(CC1)CC2=CC([R1])=CC=C2)C3CCN([R2])CC3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1CCN(CC12CC2)C3=CC(=NN=C3N)C4=CC=CC=C4O O=C(C1CCNCC1)N1CCN(CC2=CC=CC=C2)CC1 [R1]C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4 4.0 1 linker/linker_1987.sdf warhead/warhead_1987.sdf e3_ligand/e3_ligand_616.sdf 1943 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC(C(N1CC(N2C3=CC=CC(OCCN4CCN(CC5CCN(C6=CC=C(C7=O)C(C(N7C(CCC8=O)C(N8)=O)=O)=C6)CC5)CC4)=C3)CCC2C1)=C9)=NN=C9C%10=C(O)C=CC=C%10 NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(OCCN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1 5-[4-[[4-[2-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 142 NC(C(N1CC(N2[R1])CCC2C1)=C3)=NN=C3C4=C(O)C=CC=C4 C1(OCCN2CCN(CC3CCNCC3)CC2)=CC=CC=C1 [R1]C1=CC=CC(OCCN2CCN(CC3CCN([R2])CC3)CC2)=C1 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CC3CCNCC3)CC2)C=C1 [R1]C1=CC(=CC=C1)OCCN2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_1988.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_616.sdf 1944 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC(C(N1CC(N2C3=CC=CC(OCCN4CCN(CCCC5CCN(C6=CC=C(C7=O)C(C(N7C(CCC8=O)C(N8)=O)=O)=C6)CC5)CC4)=C3)CCC2C1)=C9)=NN=C9C%10=C(O)C=CC=C%10 NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(OCCN2CCN(CCCC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1 5-[4-[3-[4-[2-[3-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenoxy]ethyl]piperazin-1-yl]propyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 143 NC(C(N1CC(N2[R1])CCC2C1)=C3)=NN=C3C4=C(O)C=CC=C4 C1(OCCN2CCN(CCCC3CCNCC3)CC2)=CC=CC=C1 [R1]C1=CC=CC(OCCN2CCN(CCCC3CCN([R2])CC3)CC2)=C1 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CCCC3CCNCC3)CC2)C=C1 [R1]C1=CC(=CC=C1)OCCN2CCN(CC2)CCCC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_1989.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_616.sdf 1945 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC(C(N1CC(OC2=CC(CN3CCN(C(CN4CCC(C5=CC=C(NC(CCC6=O)C(N6)=O)C=C5)CC4)=O)CC3)=CC=C2)C1)=C7)=NN=C7C8=C(O)C=CC=C8 NC1=NN=C(C2=CC=CC=C2O)C=C1N1CC(OC2=CC=CC(CN3CCN(C(=O)CN4CCC(C5=CC=C(NC6CCC(=O)NC6=O)C=C5)CC4)CC3)=C2)C1 3-[4-[1-[2-[4-[[3-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azetidin-3-yl]oxyphenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione 156 NC1=NN=C(C2=CC=CC=C2O)C=C1N3CC(OC4=CC=CC([R1])=C4)C3 CN1CCN(CC1)C(CN2CCCCC2)=O O=C(CN1CCC([R2])CC1)N(CC2)CCN2C[R1] [R2]C1=CC=C(C=C1)NC2CCC(=O)NC2=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)OC2CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O CN1CCN(C(=O)CN2CCCCC2)CC1 [R1]CN1CCN(CC1)C(=O)CN2CCC(CC2)[R2] [R2]C1=CC=C(C=C1)NC2CCC(=O)NC2=O 3 3.0 1 linker/linker_1990.sdf warhead/warhead_1990.sdf e3_ligand/e3_ligand_1946.sdf 1946 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC(C(N1CC(N2C3=CC=CC(CN4CCN(C(C5CCN(CC5)C6=CC(C7=O)=C(C(N7C(CCC8=O)C(N8)=O)=O)C=C6)=O)CC4)=C3)CCC2C1)=C9)=NN=C9C%10=C(O)C=CC(F)=C%10 NC1=NN=C(C2=CC(F)=CC=C2O)C=C1N1CC2CCC(C1)N2C1=CC=CC(CN2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=C1 5-[4-[4-[[3-[3-[3-amino-6-(5-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]phenyl]methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 158 NC(C(N1CC(N2[R1])CCC2C1)=C3)=NN=C3C4=C(O)C=CC(F)=C4 O=C(N1CCN(CC1)CC2=CC=CC=C2)C3CCNCC3 O=C(N1CCN(CC1)CC2=CC([R1])=CC=C2)C3CCN([R2])CC3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=C(C=CC(=C4)F)O O=C(C1CCNCC1)N1CCN(CC2=CC=CC=C2)CC1 [R1]C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3 3.0 1 linker/linker_1987.sdf warhead/warhead_1991.sdf e3_ligand/e3_ligand_616.sdf 1947 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1)C(CCC1=O)C2=CC=C(N(CC3)CCN3C(C4CCN(CC4)C(C5(C6=CC=CC=C6)CCN(CC5)C7=CC(C8=C(O)C=CC=C8)=NN=C7N)=O)=O)C=C2 NC1=NN=C(C2=CC=CC=C2O)C=C1N1CCC(C(=O)N2CCC(C(=O)N3CCN(C4=CC=C(C5CCC(=O)NC5=O)C=C4)CC3)CC2)(C2=CC=CC=C2)CC1 3-[4-[4-[1-[1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]piperidine-2,6-dione 176 NC1=NN=C(C2=C(C=CC=C2)O)C=C1N3CCC(C4=CC=CC=C4)([R1])CC3 O=CN(CC1)CCC1C(N2CCNCC2)=O O=C([R1])N(CC1)CCC1C(N2CCN([R2])CC2)=O O=C(N1)CCC(C2=CC=C([R2])C=C2)C1=O CRBN Q96SW2 [R1]C1(CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O)C4=CC=CC=C4 O=CN1CCC(C(=O)N2CCNCC2)CC1 [R1]C(=O)N1CCC(CC1)C(=O)N2CCN(CC2)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 3 3.0 1 linker/linker_1992.sdf warhead/warhead_1992.sdf e3_ligand/e3_ligand_1740.sdf 1948 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C(C=N4)=CC=C4N5CCN(CC5)C(CCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F 5-[6-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]pyridin-3-yl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 11 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C([R1])N=C4)=O)=C(C=C1)F)F)=O CCCC(N1CCNCC1)=O O=C(CCC[R2])N1CCN([R1])CC1 [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 CCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26 26.0 1 linker/linker_1993.sdf warhead/warhead_1993.sdf e3_ligand/e3_ligand_7.sdf 1949 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C(C=N4)=CC=C4N5CCN(CC5)C([C@H]6C[C@H](NC7=CC=CC(C(N8C(C(N9)=O)CCC9=O)=O)=C7C8=O)C6)=O)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)[C@H]6C[C@H](NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)N=C4)C=C23)=C1F 5-[6-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutanecarbonyl]piperazin-1-yl]pyridin-3-yl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 16 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C([R1])N=C4)=O)=C(C=C1)F)F)=O O=C(N1CCNCC1)C2CCC2 O=C([C@H]1C[C@@H](C1)[R2])N2CCN(CC2)[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 O=C(C1CCC1)N1CCNCC1 [R1]N1CCN(CC1)C(=O)[C@H]2C[C@@H](C2)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_1994.sdf warhead/warhead_1993.sdf e3_ligand/e3_ligand_7.sdf 1950 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C4=CN=C(N5CCN(CC5)C(CCCOC6=CC=CC(C7=O)=C6CN7C(C8=O)CCC(N8)=O)=O)C=C4)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F 5-[6-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]butanoyl]piperazin-1-yl]pyridin-3-yl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 19 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C([R1])N=C4)=O)=C(C=C1)F)F)=O O=C(N1CCNCC1)CCCO O=C(N1CCN([R1])CC1)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 O=C(CCCO)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_1995.sdf warhead/warhead_1993.sdf e3_ligand/e3_ligand_18.sdf 1951 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C(C=N4)=CN=C4N5CCN(CC5)C(CCCOC6=CC=CC(C7=O)=C6CN7C(C8=O)CCC(N8)=O)=O)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CN=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)C=C23)=C1F 5-[2-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]butanoyl]piperazin-1-yl]pyrimidin-5-yl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 23 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CN=C(N=C4)[R1])=O)=C(C=C1)F)F)=O O=C(N1CCNCC1)CCCO O=C(N1CCN([R1])CC1)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=NC=C(C=N1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 O=C(CCCO)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 20 20.0 1 linker/linker_1995.sdf warhead/warhead_1996.sdf e3_ligand/e3_ligand_18.sdf 1952 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C(N5CCN(CC5)C([C@H]6C[C@H](NC7=CC=CC(C(N8C(C(N9)=O)CCC9=O)=O)=C7C8=O)C6)=O)C=C4)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)[C@H]6C[C@H](NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C=C4)C=C23)=C1F 5-[4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclobutanecarbonyl]piperazin-1-yl]phenyl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 28 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)[R1])=O)=C(C=C1)F)F)=O O=C(N1CCNCC1)C2CCC2 O=C([C@H]1C[C@@H](C1)[R2])N2CCN(CC2)[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 O=C(C1CCC1)N1CCNCC1 [R1]N1CCN(CC1)C(=O)[C@H]2C[C@@H](C2)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23 23.0 1 linker/linker_1994.sdf warhead/warhead_1997.sdf e3_ligand/e3_ligand_7.sdf 1953 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E CN(S(=O)(NC1=CC=C(F)C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C(N5CCN(CC5)C(CCCOC6=CC=CC(C7=O)=C6CN7C(C8=O)CCC(N8)=O)=O)C=C4)=O)=C1F)=O)CC CCN(C)S(=O)(=O)NC1=CC=C(F)C(C(=O)C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCOC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)=C1F 5-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]butanoyl]piperazin-1-yl]phenyl]-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine 29 CCN(C)S(=O)(NC1=C(C(C(C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)[R1])=O)=C(C=C1)F)F)=O O=C(N1CCNCC1)CCCO O=C(N1CCN([R1])CC1)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(NC=C3C(=O)C4=C(C=CC(=C4F)NS(=O)(=O)N(C)CC)F)N=C2 O=C(CCCO)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 16 16.0 1 linker/linker_1995.sdf warhead/warhead_1997.sdf e3_ligand/e3_ligand_18.sdf 1954 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(CC3)CCCCCCCCCN4CCN(C(N5C(C(N=C5C6=CC=C(C(C)(C)C)C=C6OCC)C7=CC=C(Cl)C=C7)C8=CC=C(Cl)C=C8)=O)CC4)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CCCCCCCCCN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 [4-[9-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]nonyl]piperazin-1-yl]-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazol-1-yl]methanone 9 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C CCCCCCCCC [R1]CCCCCCCCC[R2] CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 11000/11000/9700 10566.666666666666 0 linker/linker_34.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1955 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(CC3)C(CCCCCC(N4CCN(C(N5C(C(N=C5C6=CC=C(C(C)(C)C)C=C6OCC)C7=CC=C(Cl)C=C7)C8=CC=C(Cl)C=C8)=O)CC4)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1,7-bis[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]heptane-1,7-dione 10a CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCCCCCC=O O=C([R1])CCCCCC([R2])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCCCCCC=O [R1]C(=O)CCCCCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 2100/1500/2500 2033.3333333333333 0 linker/linker_2000.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1956 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(CC3)C(CCCCCCCC(N4CCN(C(N5C(C(N=C5C6=CC=C(C(C)(C)C)C=C6OCC)C7=CC=C(Cl)C=C7)C8=CC=C(Cl)C=C8)=O)CC4)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1,9-bis[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]nonane-1,9-dione 10b CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCCCCCCCC=O O=C([R1])CCCCCCCC([R2])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCCCCCCCC=O [R1]C(=O)CCCCCCCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 6300/3800/5700 5266.666666666667 0 linker/linker_2001.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1957 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(CC3)C(CCCCCCCCCC(N4CCN(C(N5C(C(N=C5C6=CC=C(C(C)(C)C)C=C6OCC)C7=CC=C(Cl)C=C7)C8=CC=C(Cl)C=C8)=O)CC4)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1,11-bis[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]undecane-1,11-dione 10c CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC([R2])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl >50000/>50000/>50000 50000.0 0 linker/linker_2002.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1958 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(CC3)C(CCCCCCCCCCCCCCC(N4CCN(C(N5C(C(N=C5C6=CC=C(C(C)(C)C)C=C6OCC)C7=CC=C(Cl)C=C7)C8=CC=C(Cl)C=C8)=O)CC4)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCCCCCCCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1,16-bis[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]hexadecane-1,16-dione 10d CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCCCCCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCCCCCC([R2])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCCCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCCCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl >50000/>50000/>50000 50000.0 0 linker/linker_2003.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1959 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(COCCOCC(N6CCN(CC6)C(N7C(C8=CC=C(C=C8)Cl)C(C9=CC=C(C=C9)Cl)N=C7C%10=CC=C(C=C%10OCC)C(C)(C)C)=O)=O)=O)CC5)=O)C(OCC)=C1)(C)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)COCCOCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-[2-[2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethanone 10e CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCOCCOCC=O O=C([R1])COCCOCC([R2])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCOCCOCC=O [R1]C(=O)COCCOCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 6600/4600/3900 5033.333333333333 0 linker/linker_2004.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1960 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(COCCOCCOCC(N6CCN(CC6)C(N7C(C8=CC=C(C=C8)Cl)C(C9=CC=C(C=C9)Cl)N=C7C%10=CC=C(C=C%10OCC)C(C)(C)C)=O)=O)=O)CC5)=O)C(OCC)=C1)(C)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)COCCOCCOCC(=O)N2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2)CC1 1-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-[2-[2-[2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethanone 10f CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R1])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C O=CCOCCOCCOCC=O O=C([R2])COCCOCCOCC([R1])=O CC(C)(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN([R2])CC3)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl O=CCOCCOCCOCC=O [R1]C(=O)COCCOCCOCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 1300/1200/1300 1266.6666666666667 0 linker/linker_2005.sdf warhead/warhead_438.sdf e3_ligand/e3_ligand_1955.sdf 1961 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C)C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(C(C3)=O)CC(NCCOCCOCCOCCNC(CN4C(CN(CC4)C(N(C(C5=CC=C(C=C5OCC)C(C)(C)C)=NC6C7=CC=C(Cl)C=C7)C6C8=CC=C(Cl)C=C8)=O)=O)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[[2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 11a CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R1])=O)C(OCC)=C1)(C)C CC(NCCOCCOCCOCCNC(C)=O)=O O=C(NCCOCCOCCOCCNC(C[R2])=O)C[R1] CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R2])=O)C(OCC)=C1)(C)C MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 1010 1000/3300/1900 1010.0 2066.6666666666665 0 linker/linker_2006.sdf warhead/warhead_2006.sdf e3_ligand/e3_ligand_1962.sdf 1962 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(CC(NCCOCCOCCNC(CN6C(CN(C(N(C7C8=CC=C(C=C8)Cl)C(C9=CC=C(C(C)(C)C)C=C9OCC)=NC7C%10=CC=C(C=C%10)Cl)=O)CC6)=O)=O)=O)C(C5)=O)=O)C(OCC)=C1)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[[2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide 11b CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R1])=O)C(OCC)=C1)(C)C CC(NCCOCCOCCNC(C)=O)=O O=C(C[R1])NCCOCCOCCNC(C[R2])=O CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R2])=O)C(OCC)=C1)(C)C MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 6600/7300/3900 5933.333333333333 0 linker/linker_2007.sdf warhead/warhead_2006.sdf e3_ligand/e3_ligand_1962.sdf 1963 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C1=CC=C(C(OCC)=C1)C2=NC(C(N2C(N3CCN(C(C3)=O)CC(NCCOCCNC(CN4C(CN(CC4)C(N(C(C5=CC=C(C=C5OCC)C(C)(C)C)=NC6C7=CC=C(Cl)C=C7)C6C8=CC=C(Cl)C=C8)=O)=O)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)(C)C CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=NC(C4=CC=C(Cl)C=C4)C3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[[2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethyl]acetamide 11c CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R1])=O)C(OCC)=C1)(C)C CC(NCCOCCNC(C)=O)=O O=C(C[R2])NCCOCCNC(C[R1])=O CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(C(C5)=O)[R2])=O)C(OCC)=C1)(C)C MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCNC(C)=O [R1]CC(=O)NCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 9300/12000/7400 9566.666666666666 0 linker/linker_2008.sdf warhead/warhead_2006.sdf e3_ligand/e3_ligand_1962.sdf 1964 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C1=CC=C(C(OCC)=C1)C2=N[C@H]([C@H](N2C(N3CCN(C(C3)=O)CC(NCCOCCOCCOCCNC(CN4C(CN(CC4)C(N(C(C5=CC=C(C=C5OCC)C(C)(C)C)=N[C@H]6C7=CC=C(Cl)C=C7)[C@@H]6C8=CC=C(Cl)C=C8)=O)=O)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)(C)C CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@@H](C2=CC=C(Cl)C=C2)[C@@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@@H](C4=CC=C(Cl)C=C4)[C@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 11a-1 CCOC1=C(C=CC(C(C)(C)C)=C1)C2=N[C@H]([C@H](N2C(N3CC(N(CC3)[R1])=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(NCCOCCOCCOCCNC(C)=O)=O O=C(NCCOCCOCCOCCNC(C[R2])=O)C[R1] CCOC1=C(C=CC(C(C)(C)C)=C1)C2=N[C@H]([C@H](N2C(N3CC(N(CC3)[R2])=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2[C@@H]([C@@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@@H]([C@@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 580/1100/21000 7560.0 0 linker/linker_2006.sdf warhead/warhead_2009.sdf e3_ligand/e3_ligand_1965.sdf 1965 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C)(C1=CC=C(C2=N[C@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=C(Cl)C=C4)N2C(N5CCN(CC(NCCOCCOCCOCCNC(CN6C(CN(C(N([C@H]7C8=CC=C(C=C8)Cl)C(C9=CC=C(C(C)(C)C)C=C9OCC)=N[C@@H]7C%10=CC=C(C=C%10)Cl)=O)CC6)=O)=O)=O)C(C5)=O)=O)C(OCC)=C1)C CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@H](C2=CC=C(Cl)C=C2)[C@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@H](C4=CC=C(Cl)C=C4)[C@@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[[2-[4-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 11a-2 CC(C)(C1=CC=C(C(OCC)=C1)C2=N[C@@H]([C@@H](N2C(N3CCN([R1])C(C3)=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C CC(NCCOCCOCCOCCNC(C)=O)=O O=C(NCCOCCOCCOCCNC(C[R2])=O)C[R1] CC(C)(C1=CC=C(C(OCC)=C1)C2=N[C@@H]([C@@H](N2C(N3CCN([R2])C(C3)=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 8300/9900/>50000 22733.33333333333 0 linker/linker_2006.sdf warhead/warhead_2010.sdf e3_ligand/e3_ligand_1966.sdf 1966 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 CC(C1=CC=C(C(OCC)=C1)C2=N[C@H]([C@H](N2C(N3CCN(C(C3)=O)CC(NCCOCCOCCOCCNC(CN4C(CN(CC4)C(N(C(C5=CC=C(C=C5OCC)C(C)(C)C)=N[C@@H]6C7=CC=C(Cl)C=C7)[C@H]6C8=CC=C(Cl)C=C8)=O)=O)=O)=O)=O)C9=CC=C(C=C9)Cl)C%10=CC=C(C=C%10)Cl)(C)C CCOC1=CC(C(C)(C)C)=CC=C1C1=N[C@H](C2=CC=C(Cl)C=C2)[C@H](C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(CC(=O)NCCOCCOCCOCCNC(=O)CN2CCN(C(=O)N3C(C4=CC=C(C(C)(C)C)C=C4OCC)=N[C@@H](C4=CC=C(Cl)C=C4)[C@H]3C3=CC=C(Cl)C=C3)CC2=O)C(=O)C1 2-[4-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 11a-3 CCOC1=C(C=CC(C(C)(C)C)=C1)C2=N[C@H]([C@H](N2C(N3CC(N(CC3)[R1])=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(NCCOCCOCCOCCNC(C)=O)=O O=C(NCCOCCOCCOCCNC(C[R2])=O)C[R1] CC(C)(C1=CC=C(C(OCC)=C1)C2=N[C@@H]([C@@H](N2C(N3CCN([R2])C(C3)=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C MDM2 Q00987 [R1]N1CCN(CC1=O)C(=O)N2[C@@H]([C@@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl CC(=O)NCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 11000/8700/>50000 23233.33333333333 0 linker/linker_2006.sdf warhead/warhead_2009.sdf e3_ligand/e3_ligand_1966.sdf 1967 P04035 3-Hydroxy-3-methylglutaryl coenzyme A reductase HMGCR O=C(C[C@@H](CC(CC[C@H]1[C@H](C=CC2=C[C@@H](C[C@@H]([C@]12[H])OC(NCCCCCCCCCCC(N[C@H](C(N3[C@@H](C[C@H](C3)O)C(NCC4=CC=C(C=C4)C5=C(N=CS5)C)=O)=O)C(C)(C)C)=O)=O)C)C)O)O)O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)O[C@H]3C[C@@H](C)C=C4C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(=O)O)[C@H]43)C(C)(C)C)C=C2)SC=N1 (3R)-7-[(1S,2S,6R,8S,8aR)-8-[[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecyl]carbamoyloxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid 21c [R1]C(O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H](O)C[C@H](CC(O)=O)O)C)=O NCCCCCCCCCC [R1]NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C CCCCCCCCCCN [R1]NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 120 120.0 1 linker/linker_1508.sdf warhead/warhead_2012.sdf e3_ligand/e3_ligand_27.sdf 1968 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C2N1C3=CC=C(C=C3C(C4=CC=C(C=C4)Cl)=NC25CC5)C6=CN(N=C6)CCCCCCCN7CCC(CC7)C8=CC=CC9=C8CN(C9=O)C%10CCC(NC%10=O)=O CC1=NN=C2N1C1=CC=C(C3=CN(CCCCCCCN4CCC(C5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)N=C3)C=C1C(C1=CC=C(Cl)C=C1)=NC21CC1 3-[7-[1-[7-[4-[6-(4-chlorophenyl)-1-methylspiro[[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4,1'-cyclopropane]-8-yl]pyrazol-1-yl]heptyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione CFT-1297 CFT-1297 [R1]N1C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4C5(CC5)N=C3C6=CC=C(C=C6)Cl)C CCCCCCCN1CCCCC1 [R2]C(CC1)CCN1CCCCCCC[R1] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4C5(CC5)N=C3C6=CC=C(C=C6)Cl)C CCCCCCCN1CCCCC1 [R1]CCCCCCCN1CCC(CC1)[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_2013.sdf warhead/warhead_2013.sdf e3_ligand/e3_ligand_18.sdf 1969 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=CC(N2CCC(C(N(C3)CC[C@H]3OC4=CC=C(C5=CC=C(C=C5)N6C(C)(C)C(N(C6=S)C7=CC(C(F)(F)F)=C(C#N)C=C7)=O)C=C4)=O)CC2)=CC=C18)N(C9CCC(NC9=O)=O)C8=O CC1(C)C(=O)N(C2=CC=C(C#N)C(C(F)(F)F)=C2)C(=S)N1C1=CC=C(C2=CC=C(O[C@@H]3CCN(C(=O)C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)C=C2)C=C1 4-[3-[4-[4-[(3R)-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]pyrrolidin-3-yl]oxyphenyl]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile 35 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F O=C(N(C1)CC[C@H]1OC2=CC=CC=C2)C3CCNCC3 O=C(N(C1)CC[C@H]1OC2=CC=C([R1])C=C2)C3CCN([R2])CC3 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F O=C(C1CCNCC1)N1CC[C@@H](OC2=CC=CC=C2)C1 [R1]C1=CC=C(C=C1)O[C@@H]2CCN(C2)C(=O)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 75/77 76.0 1 linker/linker_2014.sdf warhead/warhead_38.sdf e3_ligand/e3_ligand_616.sdf 1970 O75533 Splicing factor 3B subunit 1 SF3B1 SAP155 O=C(C1=CSC(NC2=CC=C(Cl)C=C2)=N1)NCCCCCCNC3=CC=CC4=C3C(N(C5CCC(NC5=O)=O)C4=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CSC(NC5=CC=C(Cl)C=C5)=N4)=C3C2=O)C(=O)N1 2-(4-chloroanilino)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1,3-thiazole-4-carboxamide PROTAC-O4I2 [R1]C(C1=CSC(NC2=CC=C(Cl)C=C2)=N1)=O NCCCCCC [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 244 227.9 244.0 227.9 1 linker/linker_415.sdf warhead/warhead_2015.sdf e3_ligand/e3_ligand_7.sdf 1971 O75533 Splicing factor 3B subunit 1 K400E SF3B1 K400E O=C(C1=CSC(NC2=CC=C(Cl)C=C2)=N1)NCCCCCCNC3=CC=CC4=C3C(N(C5CCC(NC5=O)=O)C4=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=CSC(NC5=CC=C(Cl)C=C5)=N4)=C3C2=O)C(=O)N1 2-(4-chloroanilino)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1,3-thiazole-4-carboxamide PROTAC-O4I2 [R1]C(C1=CSC(NC2=CC=C(Cl)C=C2)=N1)=O NCCCCCC [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)C1=CSC(=N1)NC2=CC=C(C=C2)Cl CCCCCCN [R1]NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90.2 90.2 1 linker/linker_415.sdf warhead/warhead_2015.sdf e3_ligand/e3_ligand_7.sdf 1972 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 18 18.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1973 Q06187 Bruton's tyrosine kinase C481S BTK C481S O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 29 29.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1974 Q06187 Bruton's tyrosine kinase C481T BTK C481T O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 38 38.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1975 Q06187 Bruton's tyrosine kinase C841G BTK C481G O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 26 26.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1976 Q06187 Bruton's tyrosine kinase C481W BTK C481W O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 41 41.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1977 Q06187 Bruton's tyrosine kinase C481A BTK C481A O=C1NC(CCC1N2CC3=C(C=CC=C3C2=O)CCCOCCOCCOCCN4N=NC(C(N5C[C@H](N(N=C6C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C6C(N)=NC=N9)CCC5)=O)=C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I L18I [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1N=NC=C1 [R2]CCCOCCOCCOCCN1N=NC([R1])=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 15 15.0 1 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1978 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C(C6=CN(CCOCCOCCOCCCC7=CC=CC8=C7CN(C8=O)C9CCC(NC9=O)=O)N=N6)=O)CCC5)C4=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CN(CCOCCOCCOCCCC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)N=N2)C1 3-[7-[3-[2-[2-[2-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione L18I NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(CCOCCOCCOCCC[R2])N=N1 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 28.5 28.5 0 linker/linker_2017.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_18.sdf 1979 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(NCCCCCCCCC(N4C[C@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C8=C(N)N=CN=C85)CCC4)=O)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)CCCCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1 5-[[9-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-9-oxononyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione GBD-9 GBD-9 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 37 133 37.0 133.0 1 linker/linker_33.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_250.sdf 1980 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCCCCCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(NO)=O)=C6)N=N5)=C4 O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCCNC(=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)=C4)=C3C2=O)C(=O)N1 3-[4-[[3-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecylcarbamoyl]phenyl]sulfanylmethyl]triazol-1-yl]-N-hydroxybenzamide 4c O=C(NO)C1=CC(N(N=N2)C=C2CSC3=CC([R1])=CC=C3)=CC=C1 O=CNCCCCCCCCCCC O=C([R1])NCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC(=CC=C1)SCC2=CN(N=N2)C3=CC=CC(=C3)C(=O)NO CCCCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 702 702.0 1 linker/linker_2025.sdf warhead/warhead_2025.sdf e3_ligand/e3_ligand_7.sdf 1981 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=CC(N2N=NC(CSC3=CC=C(C(NCCCCCCCCCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3)=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCCCCNC(=O)C4=CC=C(SCC5=CN(C6=CC=CC(C(=O)NO)=C6)N=N5)C=C4)=C3C2=O)C(=O)N1 3-[4-[[4-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]undecylcarbamoyl]phenyl]sulfanylmethyl]triazol-1-yl]-N-hydroxybenzamide 5 O=C(NO)C1=CC(N(N=N2)C=C2CSC3=CC=C([R1])C=C3)=CC=C1 O=CNCCCCCCCCCCC O=C([R1])NCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)SCC2=CN(N=N2)C3=CC=CC(=C3)C(=O)NO CCCCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 702 702.0 1 linker/linker_2025.sdf warhead/warhead_2026.sdf e3_ligand/e3_ligand_7.sdf 1982 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[5-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC5 PPC5 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 316.2 316.2 1 linker/linker_2027.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1983 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[6-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC6 PPC6 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39.9 39.9 1 linker/linker_2028.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1984 P10415 Apoptosis regulator Bcl-2 BCL2 O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC7 PPC7 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 179.9 179.9 1 linker/linker_2029.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1985 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC7 PPC7 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12.8 12.8 1 linker/linker_2029.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1986 P10415 Apoptosis regulator Bcl-2 BCL2 O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC8 PPC8 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54 54.0 1 linker/linker_2031.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1987 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC8 PPC8 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12.9 12.9 1 linker/linker_2031.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1988 P10415 Apoptosis regulator Bcl-2 BCL2 O=C([C@H]1N(C([C@@H](NC(CCCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[9-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC9 PPC9 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 316.2 316.2 1 linker/linker_2033.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1989 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[9-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC9 PPC9 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12.8 12.8 1 linker/linker_2033.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1990 P10415 Apoptosis regulator Bcl-2 BCL2 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[10-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC10 PPC10 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 354.8 354.8 1 linker/linker_2035.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1991 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCCCCCC(N2CCN(CC3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(CC4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[10-[4-[[4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPC10 PPC10 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12.1 12.1 1 linker/linker_2035.sdf warhead/warhead_1408.sdf e3_ligand/e3_ligand_23.sdf 1992 P10415 Apoptosis regulator Bcl-2 BCL2 O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(C[C@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[[(1R)-4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 753b 753b [R1][C@@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 48 48.0 1 linker/linker_2031.sdf warhead/warhead_1417.sdf e3_ligand/e3_ligand_23.sdf 1993 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(C[C@]3(C)CCC(C4=CC=C(Cl)C=C4)=C(CN5CCN(C6=CC=C(C(NS(=O)(C7=CC=C(N[C@H](CCN8CCOCC8)CSC9=CC=CC=C9)C(S(=O)(C(F)(F)F)=O)=C7)=O)=O)C=C6)CC5)C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C%10=CC=C(C%11=C(C)N=CS%11)C=C%10)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)N3CCN(C[C@]4(C)CCC(C5=CC=C(Cl)C=C5)=C(CN5CCN(C6=CC=C(C(=O)NS(=O)(=O)C7=CC=C(N[C@H](CCN8CCOCC8)CSC8=CC=CC=C8)C(S(=O)(=O)C(F)(F)F)=C7)C=C6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[8-[4-[[(1R)-4-(4-chlorophenyl)-1-methyl-3-[[4-[4-[[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]methyl]cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 753b 753b [R1][C@@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(N1CCN(C)CC1)=O O=C(N1CCN(C[R1])CC1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1][C@@]1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C CCCCCCC(=O)N1CCN(C)CC1 [R1]CN1CCN(CC1)C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6 6.0 1 linker/linker_2031.sdf warhead/warhead_1417.sdf e3_ligand/e3_ligand_23.sdf 1994 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide 9b ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 1995 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide 9b ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 1996 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N'-hydroxyoctanediamide 9b ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 1997 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N'-hydroxyoctanediamide 9e ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 1998 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N'-hydroxyoctanediamide 9e ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 1999 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(NO)=O O=C(CCCCCCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N'-hydroxyoctanediamide 9e ONC([R1])=O O=CCCCCCC O=C([R2])CCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_256.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 2000 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(CCCCCNC(NC1=CC=CC2=C1CN(C2=O)C(C(N3)=O)CCC3=O)=O)NO O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15a ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 2001 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(CCCCCNC(NC1=CC=CC2=C1CN(C2=O)C(C(N3)=O)CCC3=O)=O)NO O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15a ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 2002 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(CCCCCNC(NC1=CC=CC2=C1CN(C2=O)C(C(N3)=O)CCC3=O)=O)NO O=C(CCCCCNC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15a ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_17.sdf 2003 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NO)CCCCCNC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15d ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 2004 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NO)CCCCCNC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15d ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 2005 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NO)CCCCCNC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O O=C(CCCCCNC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NO 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]carbamoylamino]-N-hydroxyhexanamide 15d ONC([R1])=O CCCCCNC=O O=C([R2])NCCCCC[R1] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO CCCCCNC=O [R1]CCCCCNC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_104.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_7.sdf 2006 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzamide 21a NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 43 43.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_18.sdf 2007 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzamide 21a NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 43 43.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_18.sdf 2008 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC4=C3CN(C(CC5)C(NC5=O)=O)C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzamide 21a NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 43 43.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_18.sdf 2009 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 21b NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 541 541.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_16.sdf 2010 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 21b NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 541 541.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_16.sdf 2011 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC=CC=C1N)C2=CC=C(COC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)C=C2 NC1=CC=CC=C1NC(=O)C1=CC=C(COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-(2-aminophenyl)-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 21b NC1=C(NC([R1])=O)C=CC=C1 OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC=CC=C1N OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 541 541.0 1 linker/linker_2051.sdf warhead/warhead_2051.sdf e3_ligand/e3_ligand_16.sdf 2012 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NO)C1=CC=C(COC2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1 O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23a ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_18.sdf 2013 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NO)C1=CC=C(COC2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1 O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23a ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_18.sdf 2014 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NO)C1=CC=C(COC2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O)C=C1 O=C1CCC(N2CC3=C(OCC4=CC=C(C(=O)NO)C=C4)C=CC=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23a ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_18.sdf 2015 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NO)C1=CC=C(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)C=C1 O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23b ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1340 1340.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_16.sdf 2016 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NO)C1=CC=C(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)C=C1 O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23b ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1340 1340.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_16.sdf 2017 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NO)C1=CC=C(COC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)C=C1 O=C1CCC(N2C(=O)C3=CC=CC(OCC4=CC=C(C(=O)NO)C=C4)=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]-N-hydroxybenzamide 23b ONC([R1])=O OCC1=CC=CC=C1 [R2]OCC1=CC=C([R1])C=C1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NO OCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1340 1340.0 0 linker/linker_2051.sdf warhead/warhead_2039.sdf e3_ligand/e3_ligand_16.sdf 2018 P61964 WD repeat-containing protein 5 WDR5 BIG3 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCCCCC(NCCN4CCN(CC5=CC(C6=CC=C(N7CCN(C)CC7)C(NC(C(C(C(F)(F)F)=C8)=CNC8=O)=O)=C6)=CC=C5)CC4)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCC(=O)NCCN3CCN(CC4=CC=CC(C5=CC=C(N6CCN(C)CC6)C(NC(=O)C6=C[NH]C(=O)C=C6C(F)(F)F)=C5)=C4)CC3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[3-[4-(4-methylpiperazin-1-yl)-3-[[6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]phenyl]phenyl]methyl]piperazin-1-yl]ethyl]undecanediamide 8(MS33) MS33 CN1CCN(CC1)C2=CC=C(C=C2NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C4=CC=CC(CN5CCN([R1])CC5)=C4 CCCCCCCCCC(NCC)=O O=C(NCC[R1])CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)CC2=CC(=CC=C2)C3=CC(=C(C=C3)N4CCN(CC4)C)NC(=O)C5=CNC(=O)C=C5C(F)(F)F CCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 260 260.0 1 linker/linker_1007.sdf warhead/warhead_2063.sdf e3_ligand/e3_ligand_27.sdf 2019 P61964 WD repeat-containing protein 5 WDR5 BIG3 CN([C@H](C)C1)[C@@H](C)CN1C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC(C(NCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=CC=C4F)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[2-fluoro-5-[[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]phenyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide 11 MS132 CN1[C@@H](CN(C2=C(C=C(C=C2)C3=CC([R1])=CC=C3F)NC(C4=CNC(C=C4C(F)(F)F)=O)=O)C[C@@H]1C)C CNC=O O=C([R1])NC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]C1=CC(=C(C=C1)F)C2=CC(=C(C=C2)N3C[C@H](N([C@H](C3)C)C)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CNC=O [R1]C(=O)NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 92 92.0 1 linker/linker_2064.sdf warhead/warhead_2064.sdf e3_ligand/e3_ligand_27.sdf 2020 P61964 WD repeat-containing protein 5 WDR5 BIG3 O=C(C(C(C(F)(F)F)=C1)=CNC1=O)NC2=CC(C3=CC(C(NCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=O)=CC=C3F)=CC=C2N7C[C@H](C)N(C)[C@H](C)C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)C3=CC=C(F)C(C4=CC=C(N5C[C@H](C)N(C)[C@H](C)C5)C(NC(=O)C5=C[NH]C(=O)C=C5C(F)(F)F)=C4)=C3)C(C)(C)C)C=C2)SC=N1 N-[5-[2-fluoro-5-[[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]phenyl]-2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide MS67 MS67 CN1[C@@H](C)CN(C2=C(NC(C3=CNC(C=C3C(F)(F)F)=O)=O)C=C(C4=CC([R1])=CC=C4F)C=C2)C[C@H]1C O=CNC O=C([R1])NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C1=CC(=C(C=C1)F)C2=CC(=C(C=C2)N3C[C@H](N([C@H](C3)C)C)C)NC(=O)C4=CNC(=O)C=C4C(F)(F)F CNC=O [R1]C(=O)NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.7/45 24.35 1 linker/linker_2064.sdf warhead/warhead_2064.sdf e3_ligand/e3_ligand_23.sdf 2021 P10636 Tau protein Tau MAPT MAPTL CC(N=CS1)=C1C2=CC=C(CNC([C@H]3C[C@H](O)CN3C([C@@H](NC(COCCOCCOCCNC(CN(C)C4=NC(NCCC5=CC=CS5)=NC(N(CCC6)CCN6C(C)=O)=N4)=O)=O)C(C)(C)C)=O)=O)C=C2 CC(=O)N1CCCN(C2=NC(NCCC3=CC=CS3)=NC(N(C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)CC1 (2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide C004019 C004019 CC(N1CCCN(C2=NC(N(CC([R1])=O)C)=NC(NCCC3=CC=CS3)=N2)CC1)=O COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]C(=O)CN(C)C1=NC(=NC(=N1)N2CCCN(CC2)C(=O)C)NCCC3=CC=CS3 COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.85 7.85 1 linker/linker_215.sdf warhead/warhead_2066.sdf e3_ligand/e3_ligand_27.sdf 2022 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)=O)=O)CC3 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide AU-15330 AU-15330 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19.49/9.971/4.351 11.270666666666664 1 linker/linker_1800.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2023 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)=O)=O)CC3 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide AU-15330 AU-15330 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19.49/9.971/4.351 11.270666666666664 1 linker/linker_1800.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2024 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=NN=C(C2=CC=CC=C2O)C=C1N3CCN(CC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)=O)=O)CC3 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6 AU-15330 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 85 85.0 1 linker/linker_1800.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2025 Q03111 Protein ENL MLLT1 ENL LTG19 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N(CCCCCCCCNC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)N=C5)C=C4)=O)C=C3)N2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide 1 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N([R1])N=C5)C=C4)=O)C=C3)N2 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(N4)CN5CCC[C@@H]5C)C=N1 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37 37.0 1 linker/linker_33.sdf warhead/warhead_2070.sdf e3_ligand/e3_ligand_7.sdf 2026 Q03111 Protein ENL MLLT1 ENL LTG19 C[C@H]1CCCN1CC2=NC(C=CC(NC(C3=CC(C=NN4CCCCCCCCNC5=CC=CC(C6=O)=C5C(N6C(C(N7)=O)CCC7=O)=O)=C4C=C3)=O)=C8)=C8N2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide Cpd. 1 C[C@@H]1N(CCC1)CC2=NC3=C(N2)C=CC(NC(C4=CC5=C(N(N=C5)[R1])C=C4)=O)=C3 CCCCCCCC [R1]CCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=N4)CN5CCC[C@@H]5C)C=N1 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37 37.0 1 linker/linker_33.sdf warhead/warhead_2071.sdf e3_ligand/e3_ligand_7.sdf 2027 Q03111 Protein ENL MLLT1 ENL LTG19 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N(CCCCCCNC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)N=C5)C=C4)=O)C=C3)N2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide 2 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N([R1])N=C5)C=C4)=O)C=C3)N2 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(N4)CN5CCC[C@@H]5C)C=N1 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_12.sdf warhead/warhead_2070.sdf e3_ligand/e3_ligand_7.sdf 2028 Q03111 Protein ENL MLLT1 ENL LTG19 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C(NCCCCCCN4N=CC5=C4C=CC(C(NC(C=C6)=CC7=C6N=C(CN8CCC[C@@H]8C)N7)=O)=C5)=CC=C2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide Cpd. 2 C[C@@H]1N(CCC1)CC2=NC3=C(N2)C=CC(NC(C4=CC5=C(N(N=C5)[R1])C=C4)=O)=C3 CCCCCC [R1]CCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=N4)CN5CCC[C@@H]5C)C=N1 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_12.sdf warhead/warhead_2071.sdf e3_ligand/e3_ligand_7.sdf 2029 Q03111 Protein ENL MLLT1 ENL LTG19 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N(CCCCNC6=CC=CC7=C6C(N(C8CCC(NC8=O)=O)C7=O)=O)N=C5)C=C4)=O)C=C3)N2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide 3 C[C@H]1CCCN1CC2=NC3=C(C=C(NC(C4=CC5=C(N([R1])N=C5)C=C4)=O)C=C3)N2 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(N4)CN5CCC[C@@H]5C)C=N1 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 72 72.0 1 linker/linker_7.sdf warhead/warhead_2070.sdf e3_ligand/e3_ligand_7.sdf 2030 Q03111 Protein ENL MLLT1 ENL LTG19 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C(NCCCCN4N=CC5=C4C=CC(C(NC(C=C6)=CC7=C6N=C(CN8CCC[C@@H]8C)N7)=O)=C5)=CC=C2 C[C@H]1CCCN1CC1=NC2=CC=C(NC(=O)C3=CC=C4C(=C3)C=NN4CCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2[NH]1 1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]indazole-5-carboxamide Cpd. 3 C[C@@H]1N(CCC1)CC2=NC3=C(N2)C=CC(NC(C4=CC5=C(N(N=C5)[R1])C=C4)=O)=C3 CCCC [R1]CCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=N4)CN5CCC[C@@H]5C)C=N1 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 72 72.0 1 linker/linker_7.sdf warhead/warhead_2071.sdf e3_ligand/e3_ligand_7.sdf 2031 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCOCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-2-088 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCOCCN)=O O=C(NCCOCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCN [R1]NCCOCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 810 810.0 1 linker/linker_2076.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2032 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCOCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-2-090 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCOCCN)=O O=C(NCCOCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCN [R1]NCCOCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 820 820.0 1 linker/linker_2076.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2033 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCCCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[5-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]pentyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-1-106 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCCCCN)=O O=C(NCCCCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCCCCN [R1]NCCCCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 250 250.0 1 linker/linker_2078.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2034 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCCCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[5-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]pentyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-1-106 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCCCCN)=O O=C(NCCCCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCCCCN [R1]NCCCCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 198/313 255.5 1 linker/linker_2078.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2035 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCOCCOCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]ethoxy]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-2-091 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCOCCOCCN)=O O=C(NCCOCCOCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCOCCN [R1]NCCOCCOCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 1100 1100.0 0 linker/linker_678.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2036 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCOCCOCCOCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[2-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-2-092 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCOCCOCCOCCN)=O O=C(NCCOCCOCCOCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCOCCOCCN [R1]NCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 3600 3600.0 0 linker/linker_2081.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2037 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N(C1=CC=C2C(OCCN2CC(NCCOCCOCCOCCOCCNC(C[C@H]3C4=NN=C(C)N4C5=C(C(C)=C(C)S5)C(C6=CC=C(Cl)C=C6)=N3)=O)=O)=C1)CCC#N)CCl CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCOCCNC(=O)CN1CCOC3=CC(N(CCC#N)C(=O)CCl)=CC=C31)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[2-[2-[[2-[7-[(2-chloroacetyl)-(2-cyanoethyl)amino]-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide NJH-2-093 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(NCCOCCOCCOCCOCCN)=O O=C(NCCOCCOCCOCCOCCN[R1])C[R2] N#CCCN(C(CCl)=O)C1=CC2=C(C=C1)N([R2])CCO2 FEM1B Q9UK73 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC(=O)NCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCOC2=C1C=CC(=C2)N(CCC#N)C(=O)CCl 1600 1600.0 0 linker/linker_2082.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2032.sdf 2038 P03372 Estrogen receptor ER ESR1 NR3A1 OC1=CC(CC[C@H](C2=CC=CC=C2)[C@@H]3C4=CC=C(N5CCC(CN6CCN(C7=CC8=C(C(N([C@H]9CCC(NC9=O)=O)C8)=O)C=C7)CC6)CC5)C=C4)=C3C=C1 O=C1CC[C@H](N2CC3=CC(N4CCN(CC5CCN(C6=CC=C([C@@H]7C8=CC=C(O)C=C8CC[C@@H]7C7=CC=CC=C7)C=C6)CC5)CC4)=CC=C3C2=O)C(=O)N1 (3S)-3-[6-[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione ARV-471 ARV-471 OC1=CC2=C(C=C1)[C@H]([C@H](CC2)C3=CC=CC=C3)C4=CC=C([R1])C=C4 C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CC1)CN2CCN([R2])CC2 O=C(N([C@H]1CCC(NC1=O)=O)C2)C3=C2C=C([R2])C=C3 CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)[C@H]3CCC(=O)NC3=O 2 2.0 1 linker/linker_1235.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_2039.sdf 2039 P10275 Androgen receptor AR DHTR NR3C4 O=C(N1)CCC(N(C2=O)C(C3=C2C=C(N4CCN(CC(CC5)CCN5C6=NN=C(C(N[C@@H]7CC[C@@H](OC8=CC=C(C#N)C(Cl)=C8)CC7)=O)C=C6)CC4)C(F)=C3)=O)C1=O N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)N=N3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide ARV-110 ARV-110 O=C(N[C@@H]1CC[C@@H](OC2=CC=C(C#N)C(Cl)=C2)CC1)C3=NN=C([R1])C=C3 C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CC1)CN2CCN([R2])CC2 O=C(N1)CCC(N(C2=O)C(C3=C2C=C([R2])C(F)=C3)=O)C1=O CRBN Q96SW2 [R1]C1=NN=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 1 1.0 1 linker/linker_1235.sdf warhead/warhead_2084.sdf e3_ligand/e3_ligand_2040.sdf 2040 P10275 Androgen receptor AR DHTR NR3C4 O=C(N1)CCC(N(C2=O)C(C3=C2C=C(N4CCN(CC(CC5)CCN5C6=NN=C(C(N[C@@H]7CC[C@@H](OC8=CC=C(C#N)C(Cl)=C8)CC7)=O)C=C6)CC4)C(F)=C3)=O)C1=O N#CC1=CC=C(O[C@H]2CC[C@H](NC(=O)C3=CC=C(N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)N=N3)CC2)C=C1Cl N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide ARV-110 ARV-110 O=C(N[C@@H]1CC[C@@H](OC2=CC=C(C#N)C(Cl)=C2)CC1)C3=NN=C([R1])C=C3 C1(CN2CCNCC2)CCNCC1 [R1]N1CCC(CC1)CN2CCN([R2])CC2 O=C(N1)CCC(N(C2=O)C(C3=C2C=C([R2])C(F)=C3)=O)C1=O CRBN Q96SW2 [R1]C1=NN=C(C=C1)C(=O)N[C@H]2CC[C@@H](CC2)OC3=CC(=C(C=C3)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.6/5.5 41/32 4.55 36.5 1 linker/linker_1235.sdf warhead/warhead_2084.sdf e3_ligand/e3_ligand_2040.sdf 2041 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SC5 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCCCC)=O [R1]CCCC(NCCCC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCNC(=O)CCCC [R1]CCCC(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <10/<10 10.0 0 linker/linker_2086.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2042 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SC7 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCCCCCC)=O [R1]CCCC(NCCCCCC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCNC(=O)CCCC [R1]CCCC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <10/15 12.5 0 linker/linker_2087.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2043 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SC9 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCCCCCCCC)=O [R1]CCCC(NCCCCCCCC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCCNC(=O)CCCC [R1]CCCC(=O)NCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./25 25.0 0 linker/linker_2088.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2044 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SC11 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCCCCCCCCCC)=O [R1]CCCC(NCCCCCCCCCC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCCCCNC(=O)CCCC [R1]CCCC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 27/64 45.5 0 linker/linker_2089.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2045 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P3 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCOCCOCCOCC)=O [R1]CCCC(NCCOCCOCCOC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCC(=O)NCCOCCOCCOCC [R1]CCCC(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <10/<10 10.0 0 linker/linker_2090.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2046 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[2-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P4 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCOCCOCCOCCOCC)=O [R1]CCCC(NCCOCCOCCOCCOC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCC(=O)NCCOCCOCCOCCOCC [R1]CCCC(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <10/<10 10.0 0 linker/linker_2091.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2047 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCOCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[2-[2-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P5 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCOCCOCCOCCOCCOCC)=O [R1]CCCC(NCCOCCOCCOCCOCCOC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCC(=O)NCCOCCOCCOCCOCCOCC [R1]CCCC(=O)NCCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <10/<10 10.0 0 linker/linker_2092.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2048 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(NCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C(C=C5)=CC=C5C6=C(C)N=CS6)=O)C[C@@H](O)C4)=O)=O)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCCCCC3(CN)CCN(C4=CN=C(SC5=CC=CC(Cl)=C5Cl)C(N)=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide SC10 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(NCCCCCCCCCC)=O [R1]CCCC(NCCCCCCCCC[R2])=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCCCNC(=O)CCCC [R1]CCCC(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 36 36.0 0 linker/linker_2093.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2049 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(N4CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C(C=C6)=CC=C6C7=C(C)N=CS7)=O)C[C@@H](O)C5)=O)=O)CC4)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P7 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(N1CCN(CCCCCCC)CC1)=O [R1]CCCC(N1CCN(CCCCCC[R2])CC1)=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCN1CCN(C(=O)CCCC)CC1 [R1]CCCC(=O)N1CCN(CC1)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 51 51.0 0 linker/linker_2094.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2050 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(N4CCN(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C(C=C6)=CC=C6C7=C(C)N=CS7)=O)C[C@@H](O)C5)=O)=O)CC4)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[4-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P8 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(N1CCN(CCCCCCCC)CC1)=O [R1]CCCC(N1CCN(CCCCCCC[R2])CC1)=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCN1CCN(C(=O)CCCC)CC1 [R1]CCCC(=O)N1CCN(CC1)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 74 74.0 1 linker/linker_2095.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2051 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(N4CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C(C=C6)=CC=C6C7=C(C)N=CS7)=O)C[C@@H](O)C5)=O)=O)CC4)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoyl]piperazin-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P9 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(N1CCN(CCCCCCCCC)CC1)=O [R1]CCCC(N1CCN(CCCCCCCC[R2])CC1)=O CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCCN1CCN(C(=O)CCCC)CC1 [R1]CCCC(=O)N1CCN(CC1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 35.2 >95 35.2 95.0 1 linker/linker_2096.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2052 Q06124 Src homology 2 domain-containing phosphatase 2 SHP2 PTPN11 PTP2C ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(CCCCCC(N4CCN(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@@H](C)C(C=C6)=CC=C6C7=C(C)N=CS7)=O)C[C@@H](O)C5)=O)=O)CC4)=O)(CN)CC3)C=N2)=CC=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(C(=O)CCCCCC4(CN)CCN(C5=CN=C(SC6=CC=CC(Cl)=C6Cl)C(N)=N5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[4-[6-[1-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-4-(aminomethyl)piperidin-4-yl]hexanoyl]piperazin-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P10 ClC1=C(Cl)C(SC2=C(N)N=C(N3CCC(C[R1])(CN)CC3)C=N2)=CC=C1 CCCCC(N1CCN(CCCCCCCCCC)CC1)=O O=C(N1CCN(CC1)CCCCCCCCCC[R2])CCCC[R1] CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C=C2)SC=N1 VHL P40337 [R1]CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=C(C(=CC=C3)Cl)Cl)CN CCCCCCCCCCN1CCN(C(=O)CCCC)CC1 [R1]CCCCC(=O)N1CCN(CC1)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16 16.0 0 linker/linker_2097.sdf warhead/warhead_2086.sdf e3_ligand/e3_ligand_23.sdf 2053 Q13164 Extracellular signal-regulated kinase 5 ERK5 MAPK 7 BMK1 O=C(N1C)C2=CC=CC=C2N(C3=NC(NC4=CC=C(N5CCN(CCCCCCC(N[C@H](C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)C(C)(C)C)=O)CC5)C=C4OC)=NC=C31)C COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C (2S,4R)-1-[(2S)-2-[7-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPM-3 PPM-3 O=C1N(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=C3OC)N=C2N(C)C5=CC=CC=C51 CCCCCC [R1]CCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 41.4/11.5/13.7 22.2 1 linker/linker_12.sdf warhead/warhead_2098.sdf e3_ligand/e3_ligand_23.sdf 2054 Q13164 Extracellular signal-regulated kinase 5 ERK5 MAPK 7 BMK1 O=C(N1C)C2=CC=CC=C2N(C3=NC(NC4=CC=C(N5CCN(CCCCCCC(N[C@H](C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)C(C)(C)C)=O)CC5)C=C4OC)=NC=C31)C COC1=CC(N2CCN(CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C (2S,4R)-1-[(2S)-2-[7-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPM-3 PPM-3 O=C1N(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=C3OC)N=C2N(C)C5=CC=CC=C51 CCCCCC [R1]CCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 22.7/23.5/5.6 17.26666666666667 1 linker/linker_12.sdf warhead/warhead_2098.sdf e3_ligand/e3_ligand_23.sdf 2055 Q13164 Extracellular signal-regulated kinase 5 ERK5 MAPK 7 BMK1 O=C(N1C)C2=CC=CC=C2N(C3=NC(NC4=CC=C(N5CCN(CCCCCCCC(N[C@H](C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)C(C)(C)C)=O)CC5)C=C4OC)=NC=C31)C COC1=CC(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C (2S,4R)-1-[(2S)-2-[8-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPM-4 PPM-4 O=C1N(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=C3OC)N=C2N(C)C5=CC=CC=C51 CCCCCCC [R1]CCCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 36.4 36.4 1 linker/linker_13.sdf warhead/warhead_2098.sdf e3_ligand/e3_ligand_23.sdf 2056 Q13164 Extracellular signal-regulated kinase 5 ERK5 MAPK 7 BMK1 O=C(N1C)C2=CC=CC=C2N(C3=NC(NC4=CC=C(N5CCN(CCCCCCCCC(N[C@H](C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)C(C)(C)C)=O)CC5)C=C4OC)=NC=C31)C COC1=CC(N2CCN(CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1NC1=NC=C2C(=N1)N(C)C1=CC=CC=C1C(=O)N2C (2S,4R)-1-[(2S)-2-[9-[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PPM-5 PPM-5 O=C1N(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=C3OC)N=C2N(C)C5=CC=CC=C51 CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C)OC CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54.5 54.5 1 linker/linker_33.sdf warhead/warhead_2098.sdf e3_ligand/e3_ligand_23.sdf 2057 Q86X55 Coactivatorassociated arginine methyltransferase 1 CARM1 PRMT4 CN(CC1=CC=NC(C2CCN(CCNC)CC2)=C1)C(C3=CC=CC(OC4=CC=C(OCC(N5CCC(CC5)CN6CCC(CC6)CN7CCN(CC7)CC(N[C@@H](C(C)(C)C)C(N(C[C@@H](C8)O)[C@@H]8C(N[C@@H](C)C9=CC=C(C=C9)C%10=C(N=CS%10)C)=O)=O)=O)=O)C=C4)=C3)=O CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(OCC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[4-[[1-[[1-[2-[4-[3-[methyl-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]carbamoyl]phenoxy]phenoxy]acetyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3b CNCCN1CCC(C2=CC(CN(C(C3=CC=CC(OC4=CC=C([R1])C=C4)=C3)=O)C)=CC=N2)CC1 OCC(N1CCC(CN2CCC(CN3CCN(C)CC3)CC2)CC1)=O O=C(N1CCC(CN2CCC(CN3CCN(C[R2])CC3)CC2)CC1)CO[R1] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)N(C)CC3=CC(=NC=C3)C4CCN(CC4)CCNC CN1CCN(CC2CCN(CC3CCN(C(=O)CO)CC3)CC2)CC1 [R1]OCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8.1 8.1 1 linker/linker_2102.sdf warhead/warhead_2102.sdf e3_ligand/e3_ligand_23.sdf 2058 Q86X55 Coactivatorassociated arginine methyltransferase 1 CARM1 PRMT4 CN(CC1=CC=NC(C2CCN(CCNC)CC2)=C1)C(C3=CC=CC(OC4=CC=C(CCC(N5CCC(CC5)CN6CCC(CC6)CN7CCN(CC7)CC(N[C@@H](C(C)(C)C)C(N(C[C@@H](C8)O)[C@@H]8C(N[C@@H](C)C9=CC=C(C=C9)C%10=C(N=CS%10)C)=O)=O)=O)=O)C=C4)=C3)=O CNCCN1CCC(C2=CC(CN(C)C(=O)C3=CC=CC(OC4=CC=C(CCC(=O)N5CCC(CN6CCC(CN7CCN(CC(=O)N[C@H](C(=O)N8C[C@H](O)C[C@H]8C(=O)N[C@@H](C)C8=CC=C(C9=C(C)N=CS9)C=C8)C(C)(C)C)CC7)CC6)CC5)C=C4)=C3)=CC=N2)CC1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[4-[[1-[[1-[3-[4-[3-[methyl-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]carbamoyl]phenoxy]phenyl]propanoyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3e CNCCN1CCC(C2=CC(CN(C(C3=CC=CC(OC4=CC=C([R1])C=C4)=C3)=O)C)=CC=N2)CC1 O=C(CC)N1CCC(CN2CCC(CN3CCN(C)CC3)CC2)CC1 O=C(CC[R1])N1CCC(CN2CCC(CN3CCN(C[R2])CC3)CC2)CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)N(C)CC3=CC(=NC=C3)C4CCN(CC4)CCNC CCC(=O)N1CCC(CN2CCC(CN3CCN(C)CC3)CC2)CC1 [R1]CCC(=O)N1CCC(CC1)CN2CCC(CC2)CN3CCN(CC3)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8.8 8.8 1 linker/linker_2103.sdf warhead/warhead_2102.sdf e3_ligand/e3_ligand_23.sdf 2059 P10275 Androgen receptor V7 AR-V7 FC1=C(F)C(OCC(NCCCCC(N[C@H](C(N2C[C@H](O)C[C@H]2C3=NC(C4=CC=C(C5=C(C)N=CS5)C=C4)=CN3)=O)C(C)(C)C)=O)=O)=C(C6=CSC(N7CCOCC7)=N6)C=C1 CC1=C(C2=CC=C(C3=C[NH]C([C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)CCCCNC(=O)COC4=C(F)C(F)=CC=C4C4=CSC(N5CCOCC5)=N4)C(C)(C)C)=N3)C=C2)SC=N1 5-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pentanamide 7 [R1]C1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2 OCC(NCCCCC=O)=O [R1]OCC(NCCCCC([R2])=O)=O CC(C)([C@H](N[R2])C(N1C[C@H](O)C[C@H]1C2=NC(C3=CC=C(C4=C(C)N=CS4)C=C3)=CN2)=O)C VHL P40337 [R1]C1=C(C=CC(=C1F)F)C2=CSC(=N2)N3CCOCC3 O=CCCCCNC(=O)CO [R1]OCC(=O)NCCCCC(=O)[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C2=NC(=CN2)C3=CC=C(C=C3)C4=C(N=CS4)C)O)C(C)(C)C 69 69.0 0 linker/linker_2104.sdf warhead/warhead_1217.sdf e3_ligand/e3_ligand_2060.sdf 2060 P10275 Androgen receptor V7 AR-V7 FC1=C(F)C(OCC(NCCCCC(N[C@H](C(N2C[C@H](O)C[C@H]2C(N[C@H](C3=CC=C(C4=C(C)N=C(C)S4)C=C3)C)=O)=O)C(C)(C)C)=O)=O)=C(C5=CSC(N6CCOCC6)=N5)C=C1 CC1=NC(C)=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)COC3=C(F)C(F)=CC=C3C3=CSC(N4CCOCC4)=N3)C(C)(C)C)C=C2)S1 (2S,4R)-1-[(2S)-2-[5-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide 8 [R1]C1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2 OCC(NCCCCC=O)=O [R1]OCC(NCCCCC([R2])=O)=O CC(C)([C@H](N[R2])C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=C(C)S3)C=C2)C)=O)=O)C VHL P40337 [R1]C1=C(C=CC(=C1F)F)C2=CSC(=N2)N3CCOCC3 O=CCCCCNC(=O)CO [R1]OCC(=O)NCCCCC(=O)[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=C(S3)C)C)O)C(C)(C)C 71 71.0 1 linker/linker_2104.sdf warhead/warhead_1217.sdf e3_ligand/e3_ligand_2061.sdf 2061 P10275 Androgen receptor V7 AR-V7 FC1=C(F)C(OCC(NCCCCC(N[C@H](C(N2C[C@H](O)C[C@H]2C3=NC(C4=CC=C(C5=C(C)N=C(C)S5)C=C4)=CN3)=O)C(C)(C)C)=O)=O)=C(C6=CSC(N7CCOCC7)=N6)C=C1 CC1=NC(C)=C(C2=CC=C(C3=C[NH]C([C@@H]4C[C@@H](O)CN4C(=O)[C@@H](NC(=O)CCCCNC(=O)COC4=C(F)C(F)=CC=C4C4=CSC(N5CCOCC5)=N4)C(C)(C)C)=N3)C=C2)S1 5-[[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]acetyl]amino]-N-[(2S)-1-[(2S,4R)-2-[4-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-2-yl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pentanamide 9 [R1]C1=C(C=CC(F)=C1F)C2=CSC(N3CCOCC3)=N2 OCC(NCCCCC=O)=O [R1]OCC(NCCCCC([R2])=O)=O CC(C)([C@H](N[R2])C(N1C[C@H](O)C[C@H]1C2=NC(C3=CC=C(C4=C(C)N=C(C)S4)C=C3)=CN2)=O)C VHL P40337 [R1]C1=C(C=CC(=C1F)F)C2=CSC(=N2)N3CCOCC3 O=CCCCCNC(=O)CO [R1]OCC(=O)NCCCCC(=O)[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C2=NC(=CN2)C3=CC=C(C=C3)C4=C(N=C(S4)C)C)O)C(C)(C)C 81 81.0 1 linker/linker_2104.sdf warhead/warhead_1217.sdf e3_ligand/e3_ligand_2062.sdf 2062 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOCCOCC(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O)C[C@@H](N=C(C4=CC=C(Cl)C=C4)C5=C6SC(C)=C5C)C7=NN=C(N76)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C[C@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 O=C([R1])C[C@@H](N=C(C1=CC=C(Cl)C=C1)C2=C3SC(C)=C2C)C4=NN=C(N43)C NCCOCCOC [R1]NCCOCCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]C(=O)C[C@@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCN [R1]NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 60/85/95/99/100/100 89.83333333333333 1 linker/linker_974.sdf warhead/warhead_2107.sdf e3_ligand/e3_ligand_27.sdf 2063 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(N6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 30 ARD-1631 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N N1CCCCC1 [R1]N1CCC([R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 9.7 9.7 1 linker/linker_326.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_1901.sdf 2064 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 31 ARD-1632 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 5.7 5.7 1 linker/linker_1946.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_1901.sdf 2065 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CCN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]ethyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 32 ARD-1633 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 92 92.0 1 linker/linker_2110.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_1901.sdf 2066 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(N(C6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinolin-6-yl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 33 ARD-1628 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N N1CCCCC1 [R1]N1CCC([R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])C4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]N1CCC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 73 73.0 1 linker/linker_326.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2067.sdf 2067 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN(C6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinolin-6-yl]methyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 34 ARD-1629 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])C4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CCC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 25 25.0 1 linker/linker_1946.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2067.sdf 2068 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CCN(C6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CCC7=CC8=C(C=C7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-7,8-dihydro-5H-pyrrolo[3,4-g]isoquinolin-6-yl]ethyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 35 ARD-1630 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])C4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]N1CCC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 125 125.0 1 linker/linker_2110.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2067.sdf 2069 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(N(CC6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6,8,9-tetrahydropyrrolo[3,4-h][3]benzazepin-7-yl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 36 ARD-4050 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N N1CCCCC1 [R1]N1CCC([R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])CC4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]N1CCC2=CC3=C(C=C2CC1)C(=O)N(C3=O)C4CCC(=O)NC4=O 18 18.0 1 linker/linker_326.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2070.sdf 2070 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN(CC6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CN6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6,8,9-tetrahydropyrrolo[3,4-h][3]benzazepin-7-yl]methyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 37 ARD-4051 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])CC4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CCC2=CC3=C(C=C2CC1)C(=O)N(C3=O)C4CCC(=O)NC4=O 51 51.0 1 linker/linker_1946.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2070.sdf 2071 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CCN(CC6)CCC7=C6C=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC5)=O)C=C4)CC3)CC2)=CC=C1C#N N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(CCN6CCC7=CC8=C(C=C7CC6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,6,8,9-tetrahydropyrrolo[3,4-h][3]benzazepin-7-yl]ethyl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 38 ARD-4052 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)CC2)=CC=C1C#N CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC4=C(CCN([R2])CC4)C=C31)=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]N1CCC2=CC3=C(C=C2CC1)C(=O)N(C3=O)C4CCC(=O)NC4=O 3000 3000.0 0 linker/linker_2110.sdf warhead/warhead_2108.sdf e3_ligand/e3_ligand_2070.sdf 2072 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C(C=C6)=CC=C6N(CC7)CCC7(C[C@H]8C)CN8C9=CC=C(C#N)C(Cl)=C9)=O)CC5)C4)=O C[C@@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3R)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 40 ARD-1719 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 385 385.0 1 linker/linker_1946.sdf warhead/warhead_2117.sdf e3_ligand/e3_ligand_1901.sdf 2073 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)C[C@@H]2CC)=CC=C1C#N CC[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]phenyl]-3-ethyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 41 ARD-1693 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2CC)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)CC CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.2/3.5 23 1.85 23.0 1 linker/linker_1946.sdf warhead/warhead_2118.sdf e3_ligand/e3_ligand_1901.sdf 2074 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(N6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 42 ARD-1671 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N N1CCCCC1 [R1]N1CCC([R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.4/0.8 16.5 0.6000000000000001 16.5 1 linker/linker_326.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 2075 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CC(N6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)C5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(N5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]azetidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 43 ARD-1689 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N N1CCC1 [R1]N1CC([R2])C1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C C1CNC1 [R1]N1CC(C1)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.7/5.0 85 2.85 85.0 1 linker/linker_2120.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 2076 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)(F)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(F)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]-4-fluoropiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 45 ARD-1683 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1(F)CCNCC1 FC1(C[R2])CCN([R1])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1(F)CCNCC1 [R1]N1CCC(CC1)(C[R2])F [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.9/3.7 18 2.3000000000000003 18.0 1 linker/linker_2121.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 2077 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)(C)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(C)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]-4-methylpiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 47 ARD-1694 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1(C)CCNCC1 CC1(C[R2])CCN([R1])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1(C)CCNCC1 [R1]N1CCC(CC1)(C)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 3.8/8.9 42 6.35 42.0 1 linker/linker_2122.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 2078 P10275 Androgen receptor AR DHTR NR3C4 ClC1=CC(N2CC3(CCN(C4=CC=C(C(N5CCC(CN6CC(C=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=C9)=C9C6)(O)CC5)=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(O)(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 48 ARD-1705 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1(O)CCNCC1 OC1(C[R2])CCN([R1])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1(O)CCNCC1 [R1]N1CCC(CC1)(C[R2])O [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 290 290.0 1 linker/linker_2123.sdf warhead/warhead_1946.sdf e3_ligand/e3_ligand_1901.sdf 2079 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C(C=C6)=NN=C6N(CC7)CCC7(C[C@@H]8C)CN8C9=CC=C(C#N)C(Cl)=C9)=O)CC5)C4)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)N=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]pyridazin-3-yl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 49 ARD-7063 ClC1=CC(N2CC3(CCN(C4=NN=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=NN=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 2.7/0.5 20 1.6 20.0 1 linker/linker_1946.sdf warhead/warhead_2124.sdf e3_ligand/e3_ligand_1901.sdf 2080 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C(C=N6)=NC=C6N(CC7)CCC7(C[C@@H]8C)CN8C9=CC=C(C#N)C(Cl)=C9)=O)CC5)C4)=O C[C@H]1CC2(CCN(C3=CN=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]pyrazin-2-yl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 50 ARD-7064 ClC1=CC(N2CC3(CCN(C4=CN=C(C([R1])=O)C=N4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CN=C(C=N1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 4.6/1.2 10 2.9 10.0 1 linker/linker_1946.sdf warhead/warhead_2125.sdf e3_ligand/e3_ligand_1901.sdf 2081 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C(C=C6)=NC=C6N(CC7)CCC7(C[C@@H]8C)CN8C9=CC=C(C#N)C(Cl)=C9)=O)CC5)C4)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)N=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]pyridin-3-yl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 51 ARD-4055 ClC1=CC(N2CC3(CCN(C4=CN=C(C([R1])=O)C=C4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 15.6/4.6 46 10.1 46.0 1 linker/linker_1946.sdf warhead/warhead_2126.sdf e3_ligand/e3_ligand_1901.sdf 2082 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2C(NC(CC2)=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C(C=N6)=CC=C6N(CC7)CCC7(C[C@@H]8C)CN8C9=CC=C(C#N)C(Cl)=C9)=O)CC5)C4)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)C=N3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]pyridin-2-yl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 52 ARD-4056 ClC1=CC(N2CC3(CCN(C4=CC=C(C([R1])=O)C=N4)CC3)C[C@@H]2C)=CC=C1C#N CC1CCNCC1 [R1]N1CCC(C[R2])CC1 [R2]N1CC(C=C(C(N(C2C(NC(CC2)=O)=O)C3=O)=O)C3=C4)=C4C1 CRBN Q96SW2 [R1]C(=O)C1=CN=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 2.3/2.2 11 2.25 11.0 1 linker/linker_1946.sdf warhead/warhead_2127.sdf e3_ligand/e3_ligand_1901.sdf 2083 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CCCOC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-4-oxobutoxy]isoindole-1,3-dione CP-01 CP-01 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CCCCO [R1]C(CCCO[R2])=O O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 410 410.0 1 linker/linker_824.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2084 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CCCCOC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[5-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-5-oxopentoxy]isoindole-1,3-dione CP-02 CP-02 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CCCCCO O=C([R1])CCCCO[R2] O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CCCCCO [R1]C(=O)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 860 860.0 1 linker/linker_825.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2085 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CCCCCOC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[6-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-6-oxohexoxy]isoindole-1,3-dione CP-03 CP-03 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CCCCCCO O=C([R1])CCCCCO[R2] O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 650 650.0 1 linker/linker_826.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2086 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CCCCCCCOC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[8-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-8-oxooctoxy]isoindole-1,3-dione CP-04 CP-04 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CCCCCCCCO O=C([R1])CCCCCCCO[R2] O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CCCCCCCCO [R1]C(=O)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1810 1810.0 0 linker/linker_2131.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2087 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CCCCCCCCCOC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[10-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-10-oxodecoxy]isoindole-1,3-dione CP-05 CP-05 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CCCCCCCCCCO O=C([R1])CCCCCCCCCO[R2] O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CCCCCCCCCCO [R1]C(=O)CCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 120 120.0 1 linker/linker_630.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2088 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(CNC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione CP-06 CP-06 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 NCC=O [R2]NCC([R1])=O O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C NCC=O [R1]C(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_222.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2089 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(CC6CCN(C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC6)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione CP-07 CP-07 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C(C1=CC([R2])=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 43 60 43.0 60.0 1 linker/linker_1946.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_616.sdf 2090 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(C(C6CCN(C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC6)=O)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione CP-08 CP-08 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C(C1=CC([R2])=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20 20.0 1 linker/linker_2135.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_616.sdf 2091 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(CCC6CCN(C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=C7)CC6)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]ethyl]piperidin-1-yl]isoindole-1,3-dione CP-09 CP-09 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 CCC1CCNCC1 [R2]N(CC1)CCC1CC[R1] O=C(C1=CC([R2])=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C CCC1CCNCC1 [R1]CCC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 350 350.0 1 linker/linker_2110.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_616.sdf 2092 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN(CC6CCN(C7=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=CC=C7)CC6)CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 COC1=CC(O)=C2C(=O)C=C(C3=CC=C(N4CCN(CC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C=C3)OC2=C1C1=CCN(C)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[4-[[4-[4-[5-hydroxy-7-methoxy-8-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-oxochromen-2-yl]phenyl]piperazin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione CP-10 CP-10 CN1CCC(C2=C3C(C(C=C(C4=CC=C(N5CCN([R1])CC5)C=C4)O3)=O)=C(O)C=C2OC)=CC1 CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C(C1=C([R2])C=CC=C12)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C(=C(C=C4O)OC)C5=CCN(CC5)C CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_1946.sdf warhead/warhead_2128.sdf e3_ligand/e3_ligand_16.sdf 2093 Q16342 Programmed cell death 2 PDCD2 RP8 ZMYND7 O=C(N1C2C(NC(CC2)=O)=O)C3=C(OCC(N4CCC(NC5=NC([C@H](C)NC(C6=CC7=CC=CC(C8=CC=C(C(F)(F)F)C=C8)=C7C=C6)=O)=CC=C5)CC4)=O)C=CC=C3C1=O C[C@H](NC(=O)C1=CC=C2C(C3=CC=C(C(F)(F)F)C=C3)=CC=CC2=C1)C1=CC=CC(NC2CCN(C(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1 N-[(1S)-1-[6-[[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]amino]pyridin-2-yl]ethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide Compound 10e C[C@H](NC(C1=CC2=CC=CC(C3=CC=C(C(F)(F)F)C=C3)=C2C=C1)=O)C4=CC=CC([R1])=N4 OCC(N1CCC(N)CC1)=O O=C(N1CCC(N[R1])CC1)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC([R2])=C3C1=O CRBN Q96SW2 [R1]C1=NC(=CC=C1)[C@H](C)NC(=O)C2=CC3=C(C=C2)C(=CC=C3)C4=CC=C(C=C4)C(F)(F)F NC1CCN(C(=O)CO)CC1 [R1]NC1CCN(CC1)C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_2138.sdf warhead/warhead_2138.sdf e3_ligand/e3_ligand_16.sdf 2094 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 10 ERD-838 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 N1CCCCC1 [R1]N1CCC([R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >1000 1000.0 0 linker/linker_326.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2095 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 11 ERD-821 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC1CCNCC1 [R1]N1CCC(C[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CCNCC1 [R1]N1CCC(CC1)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 415 415.0 1 linker/linker_1946.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2096 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CCC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]ethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 12 ERD-839 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >1000 1000.0 0 linker/linker_2110.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2097 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CCCC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[3-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]propyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 13 ERD-840 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CCCC1CCNCC1 [R1]N1CCC(CCC[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CCCC1CCNCC1 [R1]N1CCC(CC1)CCC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 171 171.0 1 linker/linker_2142.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2098 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CCCCC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[4-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]butyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 14 ERD-841 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CCCCC1CCNCC1 [R1]N1CCC(CCCC[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CCCCC1CCNCC1 [R1]N1CCC(CC1)CCCC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 236 236.0 1 linker/linker_2143.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2099 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CCCCCC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[5-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]pentyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 15 ERD-842 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CCCCCC1CCNCC1 [R1]N1CCC(CCCCC[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CCCCCC1CCNCC1 [R1]N1CCC(CC1)CCCCC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 31 31.0 1 linker/linker_2144.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2100 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CCCCCCC5CCN(C(C=C6)=CC=C6[C@H]7[C@@H](C8=CC=CC=C8)CCC9=C7C=CC(O)=C9)CC5)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CCCCCCC2CCN(C3=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[6-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]hexyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 16 ERD-843 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CCCCCCC1CCNCC1 [R1]N1CCC(CCCCCC[R2])CC1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CCCCCCC1CCNCC1 [R1]N1CCC(CC1)CCCCCC[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 129 129.0 1 linker/linker_2145.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2101 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(C5)CN5CC6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]azetidin-3-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 17 ERD-2218 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 N1(CCC1)CC2CCNCC2 [R1]N1CCC(CC1)CN2CC([R2])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 C1CN(CC2CCNCC2)C1 [R1]N1CCC(CC1)CN2CC(C2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 989 989.0 1 linker/linker_2146.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2102 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(C5)CN5CC6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]azetidin-3-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 18 ERD-9038 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(C1)CN1CC2CCNCC2 [R1]N1CCC(CC1)CN2CC(C[R2])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CN(CC2CCNCC2)C1 [R1]N1CCC(CC1)CN2CC(C2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 21 21.0 1 linker/linker_2147.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2103 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(CC5)CCN5CC6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 19 ERD-2217 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 N1(CCCCC1)CC2CCNCC2 [R1]N1CCC(CC1)CN2CCC([R2])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 C1CCN(CC2CCNCC2)CC1 [R1]N1CCC(CC1)CN2CCC(CC2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 2.3 2.3 1 linker/linker_2148.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2104 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(CC5)CCN5CC6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 20 ERD-9033 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(CC1)CCN1CC2CCNCC2 [R1]N1CCC(CC1)CN2CCC(C[R2])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CCN(CC2CCNCC2)CC1 [R1]N1CCC(CC1)CN2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 4.3 4.3 1 linker/linker_2149.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2105 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(CC5)CCN5CC6CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 21 ERD-2141 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 N1(CCCCC1)CC2CNC2 [R2]C(CC1)CCN1CC2CN([R1])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 C1CCN(CC2CNC2)CC1 [R1]N1CC(C1)CN2CCC(CC2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 295 295.0 1 linker/linker_2150.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2106 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(CC5)CCN5CC6CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 22 ERD-2142 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(CC1)CCN1CC2CNC2 [R1]N(C1)CC1CN2CCC(C[R2])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CCN(CC2CNC2)CC1 [R1]N1CC(C1)CN2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 19 19.0 1 linker/linker_2151.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2107 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(C5)CN5C(C6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]azetidin-3-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 23 ERD-849 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=C(N1CC(C)C1)C2CCNCC2 O=C(N1CC(C[R2])C1)C2CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CN(C(=O)C2CCNCC2)C1 [R1]N1CCC(CC1)C(=O)N2CC(C2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 6 6.0 1 linker/linker_2152.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2108 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(CC5)CCN5C(C6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C2CCN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 24 ERD-9115 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=C(N1CCCCC1)C2CCNCC2 O=C(N1CCC([R2])CC1)C2CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 O=C(C1CCNCC1)N1CCCCC1 [R1]N1CCC(CC1)C(=O)N2CCC(CC2)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 1.6 1.6 1 linker/linker_2153.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2109 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(CC5)CCN5C(C6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C(=O)C3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidine-4-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 25 ERD-10108 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=C(N1CCC(C)CC1)C2CCNCC2 O=C(N1CCC(C[R2])CC1)C2CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CCN(C(=O)C2CCNCC2)CC1 [R1]N1CCC(CC1)C(=O)N2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 13 13.0 1 linker/linker_2154.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2110 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(C(CC5)CCN5CC6CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)C2CCN(CC3CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidine-4-carbonyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 26 ERD-846 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=CC(CC1)CCN1CC2CCNCC2 O=C([R2])C(CC1)CCN1CC2CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 O=CC1CCN(CC2CCNCC2)CC1 [R1]N1CCC(CC1)CN2CCC(CC2)C(=O)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 9.7 9.7 1 linker/linker_2155.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2111 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(CC5)CCN5C(C6CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC2CCN(C(=O)C3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidine-3-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 27 ERD-9096 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=C(N1CCC(C)CC1)C2CNC2 O=C(N1CCC(C[R2])CC1)C2CN([R1])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC1CCN(C(=O)C2CNC2)CC1 [R1]N1CC(C1)C(=O)N2CCC(CC2)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 32 32.0 1 linker/linker_2156.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2112 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(C(CC5)CCN5CC6CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)C2CCN(CC3CN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)CC2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]azetidin-3-yl]methyl]piperidine-4-carbonyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 28 ERD-2270 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=CC(CC1)CCN1CC2CNC2 [R1]N1CC(CN2CCC(C([R2])=O)CC2)C1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 O=CC1CCN(CC2CNC2)CC1 [R1]N1CC(C1)CN2CCC(CC2)C(=O)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >1000 1000.0 0 linker/linker_2157.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2113 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(C5)CC65CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(C2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[6-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 29 ERD-853 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(C1)CC21CNC2)=O O=C(C[R2])N(C1)CC21CN([R1])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CC2(CNC2)C1 [R1]N1CC2(C1)CN(C2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 11 11.0 1 linker/linker_2158.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2114 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)C5)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(C2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.4]octan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 30 ERD-854 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N1CCC2(CNC2)C1)=O O=C(C[R2])N1CCC2(CN([R1])C2)C1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCC2(CNC2)C1 [R1]N1CC2(C1)CCN(C2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >1000 1000.0 0 linker/linker_2159.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2115 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(C5)CC65CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)C3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[7-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.4]octan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 31 ERD-855 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(C1)CC21CNCC2)=O O=C(C[R2])N(C1)CC21CN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CC2(CCNC2)C1 [R1]N1CCC2(C1)CN(C2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 4 4.0 1 linker/linker_2160.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2116 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(CC5)CCC65CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)C6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 32 ERD-856 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(CC1)CCC21CNC2)=O O=C(C[R2])N(CC1)CCC21CN([R1])C2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCC2(CC1)CNC2 [R1]N1CC2(C1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 1.8 1.8 1 linker/linker_2161.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2117 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(C5)CC65CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[7-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 33 ERD-1152 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(C1)CC21CCNCC2)=O O=C(C[R2])N(C1)CC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CC2(CCNCC2)C1 [R1]N1CCC2(CC1)CN(C2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 2.8 2.8 1 linker/linker_2162.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2118 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(CC5)CCC65CN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)C3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 34 ERD-857 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(CC1)CCC21CNCC2)=O O=C(C[R2])N(CC1)CCC21CN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCC2(CCNC2)CC1 [R1]N1CCC2(C1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 18 18.0 1 linker/linker_2163.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2119 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(CC5)CC65CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 35 ERD-851 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(CC1)CC21CCNCC2)=O O=C(C[R2])N(CC1)CC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCC2(CCNCC2)C1 [R1]N1CCC2(CC1)CCN(C2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 4.6 4.6 1 linker/linker_2164.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2120 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(CC5)CCC65CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)CC3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 36 ERD-1173 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 5.5 5.5 1 linker/linker_2165.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2121 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N(C5)CCCC65CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(CC(=O)N2CCCC3(CCN(C5=CC=C([C@@H]6C7=CC=C(O)C=C7CC[C@@H]6C6=CC=CC=C6)C=C5)CC3)C2)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,9-diazaspiro[5.5]undecan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 37 ERD-852 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 CC(N(C1)CCCC21CCNCC2)=O O=C(C[R2])N(C1)CCCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 CC(=O)N1CCCC2(CCNCC2)C1 [R1]N1CCC2(CCCN(C2)C(=O)C[R2])CC1 [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 393 393.0 1 linker/linker_2166.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2122 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(C(CN(CC5)CCC65CCN(C(C=C7)=CC=C7[C@H]8[C@@H](C9=CC=CC=C9)CCC%10=C8C=CC(O)=C%10)CC6)=O)C4)=O O=C1CCC(N2C(=O)C3=CC4=C(C=C3C2=O)CN(C(=O)CN2CCC3(CC2)CCN(C2=CC=C([C@@H]5C6=CC=C(O)C=C6CC[C@@H]5C5=CC=CC=C5)C=C2)CC3)C4)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-6-[2-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 38 ERD-858 OC1=CC(CC[C@@H]([C@@H]2C3=CC=C(C=C3)[R1])C4=CC=CC=C4)=C2C=C1 O=CCN(CC1)CCC21CCNCC2 O=C([R2])CN(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)[C@H]2[C@H](CCC3=C2C=CC(=C3)O)C4=CC=CC=C4 O=CCN1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)CC(=O)[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O >1000 1000.0 0 linker/linker_2167.sdf warhead/warhead_2083.sdf e3_ligand/e3_ligand_1901.sdf 2123 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7F)=CC(F)=C7[C@@H](N8CC(F)(CO)F)C(NC9=C%10C=CC=C9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)(F)CO 6-[2-[9-[4-[(1R,3R)-2-(2,2-difluoro-3-hydroxypropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 39 ERD-876 C[C@@H]1CC2=C([C@@H](C3=C(C=C(C=C3F)[R1])F)N1CC(F)(CO)F)NC4=C2C=CC=C4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(CO)(F)F)C)C4=CC=CC=C4N3)F CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.1 0.1 1 linker/linker_2165.sdf warhead/warhead_2168.sdf e3_ligand/e3_ligand_1901.sdf 2124 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7F)=CC(F)=C7[C@@H](N8CC(F)(C)C)C(NC9=C%10C=CC=C9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(C)(C)F 6-[2-[9-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 40 ERD-2279 C[C@@H]1CC2=C([C@@H](C3=C(C=C(C=C3F)[R1])F)N1CC(F)(C)C)NC4=C2C=CC=C4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(C)(C)F)C)C4=CC=CC=C4N3)F CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.8 0.8 1 linker/linker_2165.sdf warhead/warhead_870.sdf e3_ligand/e3_ligand_1901.sdf 2125 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7F)=CC(F)=C7[C@@H](N8CC(F)F)C(NC9=C%10C=CC=C9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C([NH]C3=CC=CC=C23)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)F 6-[2-[9-[4-[(1R,3R)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 41 ERD-1099 C[C@@H]1CC2=C([C@@H](C3=C(C=C(C=C3F)[R1])F)N1CC(F)F)NC4=C2C=CC=C4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(F)F)C)C4=CC=CC=C4N3)F CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.8 0.8 1 linker/linker_2165.sdf warhead/warhead_2170.sdf e3_ligand/e3_ligand_1901.sdf 2126 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7)=CN=C7[C@@H](N8CC(F)(F)F)C(C=CC9=C%10C=NN9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=CC=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=N2)N1CC(F)(F)F 2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 42 ERD-3327 C[C@@H]1CC2=C([C@@H](C3=NC=C([R1])C=C3)N1CC(F)(F)F)C=CC4=C2C=NN4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CN=C(C=C1)[C@@H]2C3=C(C[C@H](N2CC(F)(F)F)C)C4=C(C=C3)NN=C4 CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 3.8 3.8 1 linker/linker_2165.sdf warhead/warhead_2171.sdf e3_ligand/e3_ligand_1901.sdf 2127 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7F)=CC(F)=C7[C@@H](N8CC(F)(F)F)C(C=CC9=C%10C=NN9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)(F)F 6-[2-[9-[3,5-difluoro-4-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 43 ERD-809 C[C@@H]1CC2=C([C@@H](C3=C(F)C=C([R1])C=C3F)N1CC(F)(F)F)C=CC4=C2C=NN4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(F)(F)F)C)C4=C(C=C3)NN=C4)F CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 2 2.0 1 linker/linker_2165.sdf warhead/warhead_2172.sdf e3_ligand/e3_ligand_1901.sdf 2128 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7F)=CC(F)=C7[C@@H](N8CC(F)F)C(C=CC9=C%10C=NN9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=C(F)C=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=C2F)N1CC(F)F 6-[2-[9-[4-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3,5-difluorophenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 44 ERD-3111 C[C@@H]1CC2=C([C@@H](C3=C(F)C=C([R1])C=C3F)N1CC(F)F)C=CC4=C2C=NN4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C(=C1)F)[C@@H]2C3=C(C[C@H](N2CC(F)F)C)C4=C(C=C3)NN=C4)F CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 0.5 0.5 1 linker/linker_2165.sdf warhead/warhead_2173.sdf e3_ligand/e3_ligand_1901.sdf 2129 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7)=CN=C7[C@@H](N8CC(F)F)C(C=CC9=C%10C=NN9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O C[C@@H]1CC2=C(C=CC3=C2C=N[NH]3)[C@@H](C2=CC=C(N3CCC4(CCN(C(=O)CN5CC6=CC7=C(C=C6C5)C(=O)N(C5CCC(=O)NC5=O)C7=O)CC4)CC3)C=N2)N1CC(F)F 6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-yl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 45 ERD-576 C[C@@H]1CC2=C([C@@H](C3=NC=C([R1])C=C3)N1CC(F)F)C=CC4=C2C=NN4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CN=C(C=C1)[C@@H]2C3=C(C[C@H](N2CC(F)F)C)C4=C(C=C3)NN=C4 CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 14 14.0 1 linker/linker_2165.sdf warhead/warhead_2174.sdf e3_ligand/e3_ligand_1901.sdf 2130 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN(CC(N5CCC6(CCN(C(C=C7OC)=CC=C7[C@@H](N8CC(F)F)C(C=CC9=C%10C=NN9)=C%10C[C@H]8C)CC6)CC5)=O)C4)=O COC1=CC(N2CCC3(CCN(C(=O)CN4CC5=CC6=C(C=C5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)=CC=C1[C@@H]1C2=CC=C3[NH]N=CC3=C2C[C@@H](C)N1CC(F)F 6-[2-[9-[4-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxyphenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione 46 ERD-570 C[C@@H]1CC2=C([C@@H](C3=CC=C([R1])C=C3OC)N1CC(F)F)C=CC4=C2C=NN4 CC(N(CC1)CCC21CCNCC2)=O O=C(C[R2])N(CC1)CCC21CCN([R1])CC2 O=C1N(C2CCC(NC2=O)=O)C(C(C1=C3)=CC4=C3CN([R2])C4)=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)[C@@H]2C3=C(C[C@H](N2CC(F)F)C)C4=C(C=C3)NN=C4)OC CC(=O)N1CCC2(CCNCC2)CC1 [R1]N1CCC2(CC1)CCN(CC2)C(=O)C[R2] [R2]N1CC2=CC3=C(C=C2C1)C(=O)N(C3=O)C4CCC(=O)NC4=O 1.4 1.4 1 linker/linker_2165.sdf warhead/warhead_2175.sdf e3_ligand/e3_ligand_1901.sdf 2131 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 NC1=C(NC(C2=CC=C(NC(CCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=O)C=C2)=O)C=CC(F)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 N-[4-[(2-amino-4-fluorophenyl)carbamoyl]phenyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]octanediamide P2 [R1]C(NC1=CC=C(C(NC2=C(N)C=C(F)C=C2)=O)C=C1)=O CCCCCC [R1]CCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15/N.D. 15.0 0 linker/linker_12.sdf warhead/warhead_1110.sdf e3_ligand/e3_ligand_23.sdf 2132 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 NC1=C(NC(C2=CC=C(NC(CCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=O)C=C2)=O)C=CC(F)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 N-[4-[(2-amino-4-fluorophenyl)carbamoyl]phenyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]nonanediamide P3 [R1]C(NC1=CC=C(C(NC2=C(N)C=C(F)C=C2)=O)C=C1)=O CCCCCCC [R1]CCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16/46 31.0 0 linker/linker_13.sdf warhead/warhead_1110.sdf e3_ligand/e3_ligand_23.sdf 2133 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 NC1=C(NC(C2=CC=C(NC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=O)C=C2)=O)C=CC(F)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 N-[4-[(2-amino-4-fluorophenyl)carbamoyl]phenyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]decanediamide P4 [R1]C(NC1=CC=C(C(NC2=C(N)C=C(F)C=C2)=O)C=C1)=O CCCCCCCC [R1]CCCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16/46 31.0 0 linker/linker_33.sdf warhead/warhead_1110.sdf e3_ligand/e3_ligand_23.sdf 2134 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 NC1=C(NC(C2=CC=C(NC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@H](C4=CC=C(C5=C(C)N=CS5)C=C4)C)=O)=O)=O)=O)C=C2)=O)C=CC(F)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)NC3=CC=C(C(=O)NC4=CC=C(F)C=C4N)C=C3)C(C)(C)C)C=C2)SC=N1 N-[4-[(2-amino-4-fluorophenyl)carbamoyl]phenyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]dodecanediamide P5 [R1]C(NC1=CC=C(C(NC2=C(N)C=C(F)C=C2)=O)C=C1)=O CCCCCCCCCC [R1]CCCCCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./32 32.0 0 linker/linker_35.sdf warhead/warhead_1110.sdf e3_ligand/e3_ligand_23.sdf 2135 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC(CCCCCCC(NC(C=C2)=CC=C2C(NNCCC)=O)=O)=O)=O)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-(propylaminocarbamoyl)phenyl]octanediamide P6 O=C(C1=CC=C(NC([R1])=O)C=C1)NNCCC CCCCCC [R1]CCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NNCCC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 87/64 75.5 1 linker/linker_12.sdf warhead/warhead_2180.sdf e3_ligand/e3_ligand_23.sdf 2136 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC(CCCCCCCCC(NC(C=C2)=CC=C2C(NNCCC)=O)=O)=O)=O)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-(propylaminocarbamoyl)phenyl]decanediamide P7 O=C(C1=CC=C(NC([R1])=O)C=C1)NNCCC CCCCCCCC [R1]CCCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NNCCC CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.6 86/17 0.6 51.5 1 linker/linker_33.sdf warhead/warhead_2180.sdf e3_ligand/e3_ligand_23.sdf 2137 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC(CCCCCCCCC(NC(C=C2)=CC=C2C(NNCCC)=O)=O)=O)=O)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-(propylaminocarbamoyl)phenyl]decanediamide P7 O=C(C1=CC=C(NC([R1])=O)C=C1)NNCCC CCCCCCCC [R1]CCCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NNCCC CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 75 75.0 1 linker/linker_33.sdf warhead/warhead_2180.sdf e3_ligand/e3_ligand_23.sdf 2138 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC(CCCCCCCCCCC(NC(C=C2)=CC=C2C(NNCCC)=O)=O)=O)=O)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 CCCNNC(=O)C1=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-(propylaminocarbamoyl)phenyl]dodecanediamide P8 O=C(C1=CC=C(NC([R1])=O)C=C1)NNCCC CCCCCCCCCC [R1]CCCCCCCCCC[R2] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NNCCC CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 88/74 81.0 1 linker/linker_35.sdf warhead/warhead_2180.sdf e3_ligand/e3_ligand_23.sdf 2139 P62937 Cyclophilin A CypA PPIase A Rotamase A OC1=C(C(NC(NC2CCCCC2)=O)=O)C(OCCCCCOCC(N[C@H](C(N3[C@@H](C[C@H](C3)O)C(NC(C)C4=CC=C(C=C4)C5=C(N=CS5)C)=O)=O)C(C)(C)C)=O)=CC=C1 CC1=C(C2=CC=C(C(C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOC3=CC=CC(O)=C3C(=O)NC(=O)NC3CCCCC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-(cyclohexylcarbamoylcarbamoyl)-3-hydroxyphenoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Comp-K OC1=C(C([R1])=CC=C1)C(NC(NC2CCCCC2)=O)=O OCCCCCOC [R1]OCCCCCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NC(C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]C1=C(C(=CC=C1)O)C(=O)NC(=O)NC2CCCCC2 COCCCCCO [R1]OCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC(C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 44.66 44.66 1 linker/linker_851.sdf warhead/warhead_2184.sdf e3_ligand/e3_ligand_2140.sdf 2140 P62937 Cyclophilin A CypA PPIase A Rotamase A CC(N=CS1)=C1C2=CC=C(C=C2)CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(COCCCCOCCCCCC4=CC=CC(O)=C4C(NC(NC5CCCCC5)=O)=O)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOCCCCCC3=CC=CC(O)=C3C(=O)NC(=O)NC3CCCCC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[5-[2-(cyclohexylcarbamoylcarbamoyl)-3-hydroxyphenyl]pentoxy]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Comp-L OC1=C(C([R1])=CC=C1)C(NC(NC2CCCCC2)=O)=O COCCCCOCCCCC [R1]CCCCCOCCCCOC[R2] CC(N=CS1)=C1C2=CC=C(C=C2)CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]C1=C(C(=CC=C1)O)C(=O)NC(=O)NC2CCCCC2 CCCCCOCCCCOC [R1]CCCCCOCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 57.86 57.86 1 linker/linker_2185.sdf warhead/warhead_2184.sdf e3_ligand/e3_ligand_27.sdf 2141 P62937 Cyclophilin A CypA PPIase A Rotamase A C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC([C@@H]3C[C@H](CN3C([C@@H](NC(COCCCCCOC4=CC=CC(F)=C4C(NC(NC5C6=C(C7=C5C=CC=C7)C=CC=C6)=O)=O)=O)C(C)(C)C)=O)O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCOC3=CC=CC(F)=C3C(=O)NC(=O)NC3C4=CC=CC=C4C4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[5-[2-(9H-fluoren-9-ylcarbamoylcarbamoyl)-3-fluorophenoxy]pentoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide Comp-M FC1=C(C(NC(NC2C(C=CC=C3)=C3C4=C2C=CC=C4)=O)=O)C([R1])=CC=C1 OCCCCCOC [R2]COCCCCCO[R1] C[C@H](NC([C@@H]1C[C@@H](O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2C3=CC=CC=C3C4=CC=CC=C24 COCCCCCO [R1]OCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32.49 32.49 1 linker/linker_851.sdf warhead/warhead_2186.sdf e3_ligand/e3_ligand_23.sdf 2142 P07900 Heat shock protein HSP 90-alpha HSP90alpha LAP-2 HSP86 OC1=C(C(C)C)C=C(C(N2CC3=C(C=C(CN4CCN(CCCCCCC(NC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3)C2)=O)C=C1 CC(C)C1=CC(C(=O)N2CC3=CC=C(CN4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3C2)=CC=C1O N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-7-[4-[[2-(4-hydroxy-3-propan-2-ylbenzoyl)-1,3-dihydroisoindol-5-yl]methyl]piperazin-1-yl]heptanamide X10g OC1=C(C(C)C)C=C(C(N2CC3=C(C=C(CN4CCN([R1])CC4)C=C3)C2)=O)C=C1 O=CCCCCCC O=C([R2])CCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC3=C(CN(C3)C(=O)C4=CC(=C(C=C4)O)C(C)C)C=C2 CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 295 51480/16460/8930 295.0 25623.33333333333 1 linker/linker_256.sdf warhead/warhead_2187.sdf e3_ligand/e3_ligand_7.sdf 2143 P22736 Nuclear receptor subfamily 4 group A member 1 NR4A1 GFRP1 NAK1 O=C(COCCOCCOCCOCCNC([C@](C)(CC1)C[C@@H]2[C@@]1(C)CC[C@@]3(C)[C@](C)2CC[C@]4(C)C3=CC=C(C(C)=C5O)C4=CC5=O)=O)N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C[C@H]4[C@]3(C)CC[C@@]21C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[(2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide NR-V04 CC1=C(O)C(C=C2C1=CC=C3[C@@]2(C)CC[C@]4(C)[C@]3(C)CC[C@]5(C)[C@H]4C[C@](C)(C([R1])=O)CC5)=O NCCOCCOCCOCCOC [R1]NCCOCCOCCOCCOC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C(=O)[C@@]1(CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 228.5/518.8 373.65 1 linker/linker_305.sdf warhead/warhead_2188.sdf e3_ligand/e3_ligand_23.sdf 2144 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCNC(CCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)=NC(N6CCOCC6)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]hexanediamide 7d CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCC)=O O=C(CCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCC(=O)NCC [R1]CCNC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/10 5.0 0 linker/linker_1004.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2145 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCOC4=NC(N5CCOCC5)=CC(N/N=C/C6=CC(C)=CC=C6)=N4 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]heptanediamide 7e CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCC)=O O=C(CCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCC(=O)NCC [R1]CCNC(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3/0 1.5 0 linker/linker_1725.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2146 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCNC(CCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)=NC(N6CCOCC6)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]octanediamide 7f CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCCC)=O O=C(CCCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/51 25.5 0 linker/linker_1005.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2147 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCOC4=NC(N5CCOCC5)=CC(N/N=C/C6=CC(C)=CC=C6)=N4 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]nonanediamide 7g CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCCCC)=O O=C(CCCCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 30/17 23.5 0 linker/linker_1727.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2148 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCNC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)=NC(N6CCOCC6)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]decanediamide 7h CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCCCCC)=O O=C(CCCCCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32/31 31.5 0 linker/linker_1006.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2149 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCOC4=NC(N5CCOCC5)=CC(N/N=C/C6=CC(C)=CC=C6)=N4 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]undecanediamide 7i CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCCCCCC)=O O=C(CCCCCCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 72/32 52.0 0 linker/linker_1007.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2150 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCNC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)=NC(N6CCOCC6)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]dodecanediamide 7j CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67/21 44.0 0 linker/linker_1008.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2151 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]butanediamide 12b CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CC)=O)C=C1 O=C(CC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/8 4.0 0 linker/linker_2196.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2152 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]hexanediamide 12d PIK5-12d CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCC)=O)C=C1 O=C(CCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.48 522.3 97/91 1.48 94.0 522.3 1 linker/linker_2197.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2153 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]heptanediamide 12e CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCC)=O)C=C1 O=C(CCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 90/75 82.5 1 linker/linker_2198.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2154 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]octanediamide 12f CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCCC)=O)C=C1 O=C(CCCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 26/19 22.5 0 linker/linker_2199.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2155 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC(C)(C)[C@H](NC(CCCCCCCC(NC1=CC=C(CCOC2=NC(N3CCOCC3)=CC(N/N=C/C4=CC(C)=CC=C4)=N2)C=C1)=O)=O)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]nonanediamide 12g CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCCCC)=O)C=C1 O=C(CCCCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 84/92 88.0 1 linker/linker_2200.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2156 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]decanediamide 12h CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCCCCC)=O)C=C1 O=C(CCCCCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 81/45 63.0 0 linker/linker_2201.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2157 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]undecanediamide 12i CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCCCCCC)=O)C=C1 O=C(CCCCCCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 64/41 52.5 0 linker/linker_2202.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2158 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NC(C=C4)=CC=C4CCOC5=NC(N6CCOCC6)=CC(N/N=C/C7=CC(C)=CC=C7)=N5 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]dodecanediamide 12j CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCCCCCCCC)=O)C=C1 O=C(CCCCCCCCCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCCCCCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 48/3 25.5 0 linker/linker_2203.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 2159 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]hexanediamide 13a CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCCC)=O)C=C1 O=C(CCCC[R2])NC1=CC=C(C=C1)CC[R1] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 47/44 45.5 0 linker/linker_2197.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_23.sdf 2160 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(NCC4=CC=C(C(N5C[C@H](N6N=C(C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C(N)N=CN=C96)CCC5)=O)C=C4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C1 5-[[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15-271 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 NCC1=CC=CC=C1 [R1]C(C=C1)=CC=C1CN[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NCC1=CC=CC=C1 [R1]C1=CC=C(C=C1)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.7/18.3 19.5 0 linker/linker_2205.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2161 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(NC4=CC=C(C(N5C[C@H](N6N=C(C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C(N)N=CN=C96)CCC5)=O)C=C4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)C=C2)C1 5-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]anilino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15-59 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 NC1=CC=CC=C1 [R1]C1=CC=C(N[R2])C=C1 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18.2/20.1 19.15 0 linker/linker_2206.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2162 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C(N(CC1=C2C=CC(NC3=CC=C(C(N4C[C@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C8=C(N)N=CN=C85)CCC4)=O)C=C3)=C1)C2=O)CC9)NC9=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C2)C1 3-[6-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]anilino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 15-81 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 NC1=CC=CC=C1 [R1]C1=CC=C(N[R2])C=C1 O=C(NC1=O)CCC1N(C2=O)CC3=C2C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 6.9/12 9.45 0 linker/linker_2206.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_21.sdf 2163 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CCN(C(N5C[C@H](N6N=C(C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C(N)N=CN=C96)CCC5)=O)CC4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)N2CCN(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C1 5-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15-83-1 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 N1CCNCC1 [R1]N1CCN([R2])CC1 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C1CNCCN1 [R1]N1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78.4/79.7 79.05000000000001 1 linker/linker_327.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2164 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CC5(CN(C(N6C[C@H](N7N=C(C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C(N)N=CN=C%107)CCC6)=O)C5)C4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)N2CC3(C2)CN(C2=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C2)C3)C1 5-[2-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15-83-2 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 N1CC2(C1)CNC2 [R1]N(C1)CC21CN([R2])C2 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C1NCC12CNC2 [R1]N1CC2(C1)CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 23.1/24.5 23.8 0 linker/linker_2209.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2165 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C(NC6=CC(C(N(C7=O)C8CCC(NC8=O)=O)=O)=C7C=C6)=O)CCC5)C4=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)NC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C1 (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-1-carboxamide 15-155 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 N [R1]N[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N N [R1]N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O ~100 100.0 1 linker/linker_2210.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2166 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C(C6=CC=C(C7=CC=C(NC8=CC(C(N(C9=O)C%10CCC(NC%10=O)=O)=O)=C9C=C8)C=C7)C=C6)=O)CCC5)C4=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)C2=CC=C(C3=CC=C(NC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C=C3)C=C2)C1 5-[4-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]anilino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15-177 NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H]5CN(C([R1])=O)CCC5)C4=NC=N1 NC(C=C1)=CC=C1C2=CC=CC=C2 [R1]C1=CC=C(C2=CC=C(N[R2])C=C2)C=C1 O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC1=CC=C(C2=CC=CC=C2)C=C1 [R1]C1=CC=C(C=C1)C2=CC=C(C=C2)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 38.4/38.8 38.6 0 linker/linker_2211.sdf warhead/warhead_839.sdf e3_ligand/e3_ligand_616.sdf 2167 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CCCNNC(C1=CC=C(N2CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C=C4)C5=C(C)N=CS5)=O)=O)=O)CC2)C=C1)=O CCCNNC(=O)C1=CC=C(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)C=C1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 25 YX968 CCCNNC(C1=CC=C(N2CCN([R1])CC2)C=C1)=O CCCCCCC [R2]CCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)C(=O)NNCCC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.7 1.7 1 linker/linker_13.sdf warhead/warhead_2212.sdf e3_ligand/e3_ligand_23.sdf 2168 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 CCCNNC(C1=CC=C(N2CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C=C4)C5=C(C)N=CS5)=O)=O)=O)CC2)C=C1)=O CCCNNC(=O)C1=CC=C(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)C=C1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 25 YX968 CCCNNC(C1=CC=C(N2CCN([R1])CC2)C=C1)=O CCCCCCC [R2]CCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1CCN(CC1)C2=CC=C(C=C2)C(=O)NNCCC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6.1 6.1 1 linker/linker_13.sdf warhead/warhead_2212.sdf e3_ligand/e3_ligand_23.sdf 2169 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OC[C@H](O)CCl)C=C1)(C)C2=CC=C(OCCCC3=CN(CC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)N=N3)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCC1=CN(C)N=N1 [R2]CN1N=NC(CCC[R1])=C1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCC1=CN(C)N=N1 [R1]CCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 17.6/27.9/18.4/31 23.725 0 linker/linker_2214.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2170 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OC[C@H](O)CCl)C=C1)(C)C2=CC=C(OCCCC3=CN(CC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)N=N3)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCC1=CN(C)N=N1 [R2]CN1N=NC(CCC[R1])=C1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCC1=CN(C)N=N1 [R1]CCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 45.9/63.3 54.6 0 linker/linker_2214.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2171 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OC[C@@H](CCl)O)C=C1)(C)C2=CC=C(OCCCCC(N=N3)=CN3CC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC(C=C5)=CC=C5C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]butyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CN1N=NC(CCCC)=C1 [R1]CCCCC1=CN(C[R2])N=N1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCC1=CN(C)N=N1 [R1]CCCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 22/36.6/43.2/53.5 38.825 0 linker/linker_2216.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2172 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OC[C@@H](CCl)O)C=C1)(C)C2=CC=C(OCCCCC(N=N3)=CN3CC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC(C=C5)=CC=C5C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]butyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 14 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CN1N=NC(CCCC)=C1 [R1]CCCCC1=CN(C[R2])N=N1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCC1=CN(C)N=N1 [R1]CCCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 56.4/59.5 57.95 0 linker/linker_2216.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2173 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OC[C@H](O)CCl)C=C1)(C)C2=CC=C(OCCCCCC3=CN(CC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)N=N3)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[5-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]pentyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CN1N=NC(CCCCC)=C1 [R1]CCCCCC1=CN(C[R2])N=N1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCC1=CN(C)N=N1 [R1]CCCCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 27.5/31.9/48.9/39.6 36.975 0 linker/linker_2218.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2174 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OC[C@H](O)CCl)C=C1)(C)C2=CC=C(OCCCCCC3=CN(CC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)N=N3)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CN3C=C(CCCCCOC4=CC=C(C(C)(C)C5=CC=C(OC[C@H](O)CCl)C=C5)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[5-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]pentyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CN1N=NC(CCCCC)=C1 [R1]CCCCCC1=CN(C[R2])N=N1 CC1=C(C2=CC=C(CNC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O)C=C2)SC=N1 VHL P40337 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCC1=CN(C)N=N1 [R1]CCCCCC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 38.1/48.2 43.150000000000006 0 linker/linker_2218.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_27.sdf 2175 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 16 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCC1=CN(CCCN)N=N1 [R1]CCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCC1=CN(CCCN)N=N1 [R1]CCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 27.4/36.1/31.5/58.5 38.375 0 linker/linker_2220.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2176 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 16 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCC1=CN(CCCN)N=N1 [R1]CCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCC1=CN(CCCN)N=N1 [R1]CCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25.9/64.1 45.0 0 linker/linker_2220.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2177 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[4-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]butyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 17 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 NCCCN1N=NC(CCCC)=C1 [R1]CCCCC1=CN(N=N1)CCCN[R2] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCC1=CN(CCCN)N=N1 [R1]CCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.6/22.3/7.4/9.8 12.275 0 linker/linker_2222.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2178 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[4-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]butyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 17 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 NCCCN1N=NC(CCCC)=C1 [R1]CCCCC1=CN(N=N1)CCCN[R2] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCC1=CN(CCCN)N=N1 [R1]CCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 23.5/59.3 41.4 0 linker/linker_2222.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2179 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[5-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]pentyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 18 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCCCC1=CN(CCCN)N=N1 [R1]CCCCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCC1=CN(CCCN)N=N1 [R1]CCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/28.6/15.3/23.3 18.05 0 linker/linker_2224.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2180 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[5-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]pentyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 18 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCCCC1=CN(CCCN)N=N1 [R1]CCCCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCC1=CN(CCCN)N=N1 [R1]CCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62.2/71.1 66.65 0 linker/linker_2224.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2181 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[6-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]hexyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 19 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 NCCCN1N=NC(CCCCCC)=C1 [R1]CCCCCCC1=CN(N=N1)CCCN[R2] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/16.2/24.2/40.9 21.575 0 linker/linker_2226.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2182 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[6-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]hexyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 19 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 NCCCN1N=NC(CCCCCC)=C1 [R1]CCCCCCC1=CN(N=N1)CCCN[R2] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45.7/66 55.85 0 linker/linker_2226.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2183 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[7-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]heptyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 20 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/42.7/42/59.5 37.3 0 linker/linker_2228.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2184 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCCCCCCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCCCCCCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[7-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]heptyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 20 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCCCCCCC1=CN(CCCN)N=N1 [R1]CCCCCCCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48.9/68.5 58.7 0 linker/linker_2228.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2185 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCOCCOCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCOCCOCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[2-[2-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxymethyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCOCCOCC1=CN(CCCN)N=N1 [R1]CCOCCOCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCOCCOCC1=CN(CCCN)N=N1 [R1]CCOCCOCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10.4/25.4/16.7/17.1 17.4 0 linker/linker_2230.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2186 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCCOCCOCC(N=N3)=CN3CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCCOCCOCC2=CN(CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)N=N2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[2-[2-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethoxymethyl]triazol-1-yl]propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CCOCCOCC1=CN(CCCN)N=N1 [R1]CCOCCOCC1=CN(CCCN[R2])N=N1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CCOCCOCC1=CN(CCCN)N=N1 [R1]CCOCCOCC1=CN(N=N1)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36.2/32.6 34.400000000000006 0 linker/linker_2230.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2187 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[2-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 22 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CN)=O)CC1 O=C(CN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CN)CC1 [R1]CC1CCN(CC1)C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18.3/26.2/<5.0/<5.0 13.625 0 linker/linker_2232.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2188 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[2-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 22 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CN)=O)CC1 O=C(CN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CN)CC1 [R1]CC1CCN(CC1)C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10.4/29.4 19.9 0 linker/linker_2232.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2189 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-3-oxopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 23 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CCN)=O)CC1 O=C(CCN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CCN)CC1 [R1]CC1CCN(CC1)C(=O)CCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.2/25.6/<5.0/5.8 13.9 0 linker/linker_2234.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2190 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-3-oxopropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 23 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CCN)=O)CC1 O=C(CCN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CCN)CC1 [R1]CC1CCN(CC1)C(=O)CCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17.5/49.6 33.55 0 linker/linker_2234.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2191 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 24 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CCCN)=O)CC1 O=C(CCCN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CCCN)CC1 [R1]CC1CCN(CC1)C(=O)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21.2/39.1/22.6/49.3 33.05 0 linker/linker_2236.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2192 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(CCCNC4=CC=C5C(N(C(C5=C4)=O)C6C(NC(CC6)=O)=O)=O)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)CCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 24 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(CCCN)=O)CC1 O=C(CCCN[R2])N(CC1)CCC1C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)CCCN)CC1 [R1]CC1CCN(CC1)C(=O)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 54.4/75.7 65.05 0 linker/linker_2236.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2193 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)C2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 25 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(C2CCNCC2)C1 [R1]CC1CN(C2CCN([R2])CC2)C1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(C2CCNCC2)C1 [R1]CC1CN(C1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/36.8/12.7/36.8 22.825 0 linker/linker_2238.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2194 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)C2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 25 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(C2CCNCC2)C1 [R1]CC1CN(C2CCN([R2])CC2)C1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(C2CCNCC2)C1 [R1]CC1CN(C1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36.9/43.6 40.25 0 linker/linker_2238.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2195 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC(C2)CN2CC3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 26 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(CC2CCNCC2)C1 [R1]CC1CN(CC2CCN([R2])CC2)C1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/10.7/7.6/19.3 10.65 0 linker/linker_2147.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2196 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC(C2)CN2CC3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 26 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(CC2CCNCC2)C1 [R1]CC1CN(CC2CCN([R2])CC2)C1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 52.6/69.9 61.25 0 linker/linker_2147.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2197 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 27 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(C2CCN([R2])CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0/<5.0/5.7 5.175 0 linker/linker_2242.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2198 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 27 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(C2CCN([R2])CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 41.8/50.3 46.05 0 linker/linker_2242.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2199 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 28 BWA-522 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC2CCN([R2])CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3450/730/2410 1070/5590/4080 48.7/72/52.4/73.1 2196.6666666666665 61.55 3580.0 0 linker/linker_2149.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2200 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 28 BWA-522 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC2CCN([R2])CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 670/760 77.3/84.6 715.0 80.94999999999999 1 linker/linker_2149.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2201 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)C3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 29 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(C3CCN([R2])CC3)C2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0/45.7/51 26.675 0 linker/linker_2246.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2202 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)C3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 29 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(C3CCN([R2])CC3)C2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29.2/30.9 30.05 0 linker/linker_2246.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2203 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC(C3)CN3CC4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 30 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(CC3CCN([R2])CC3)C2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0/31.1/38.1 19.8 0 linker/linker_2248.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2204 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC(C3)CN3CC4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 30 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(CC3CCN([R2])CC3)C2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30.5/72.8 51.65 0 linker/linker_2248.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2205 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 31 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(C3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0/62.5 24.166666666666668 0 linker/linker_2250.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2206 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 31 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(C3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30.1/80.3 55.2 0 linker/linker_2250.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2207 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 32 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(CC3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/33.5 19.25 0 linker/linker_2252.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2208 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(C(N(C7CCC(NC7=O)=O)C6=O)=O)=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 32 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(CC3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 50.3 50.3 0 linker/linker_2252.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2209 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(N4CCC5(CCN(CC5)C6=CC=C7C(N(C(C7=C6)=O)C8C(NC(CC8)=O)=O)=O)CC4)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 33 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(N2CCC3(CC2)CCNCC3)=O)CC1 O=C(N1CCC2(CC1)CCN([R2])CC2)N(CC3)CCC3C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)N2CCC3(CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)C(=O)N2CCC3(CCN(CC3)[R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/25.2/<5.0/<5.0 10.05 0 linker/linker_2254.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2210 P10275 Androgen receptor V7 AR-V7 O[C@@H](COC1=CC=C(C=C1)C(C)(C(C=C2)=CC=C2OCC3CCN(CC3)C(N4CCC5(CCN(CC5)C6=CC=C7C(N(C(C7=C6)=O)C8C(NC(CC8)=O)=O)=O)CC4)=O)C)CCl CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 33 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C(N2CCC3(CC2)CCNCC3)=O)CC1 O=C(N1CCC2(CC1)CCN([R2])CC2)N(CC3)CCC3C[R1] O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)N2CCC3(CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)C(=O)N2CCC3(CCN(CC3)[R2])CC2 [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/40.3 22.65 0 linker/linker_2254.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2211 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=CC=C(N2CCN(C3=CC=C4C(C(N(C5CCC(NC5=O)=O)C4=O)=O)=C3)CC2)C=C1)N6CCC(COC7=CC=C(C(C)(C(C=C8)=CC=C8OC[C@@H](CCl)O)C)C=C7)CC6 CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 34 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(CC1)C)C2=CC=C(C=C2)N3CCNCC3 O=C(N1CCC(CC1)C[R1])C2=CC=C(C=C2)N3CCN([R2])CC3 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)C2=CC=C(N3CCNCC3)C=C2)CC1 [R1]CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17.9/21.5/44/45.8 32.3 0 linker/linker_2256.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2212 P10275 Androgen receptor V7 AR-V7 O=C(C1=CC=C(N2CCN(C3=CC=C4C(C(N(C5CCC(NC5=O)=O)C4=O)=O)=C3)CC2)C=C1)N6CCC(COC7=CC=C(C(C)(C(C=C8)=CC=C8OC[C@@H](CCl)O)C)C=C7)CC6 CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 5-[4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 34 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(CC1)C)C2=CC=C(C=C2)N3CCNCC3 O=C(N1CCC(CC1)C[R1])C2=CC=C(C=C2)N3CCN([R2])CC3 O=C(C1=C2C=C([R2])C=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)C2=CC=C(N3CCNCC3)C=C2)CC1 [R1]CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45.3/46.4 45.85 0 linker/linker_2256.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_616.sdf 2213 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CN(C3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)C2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 35 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(C2CCNCC2)C1 [R1]CC1CN(C2CCN([R2])CC2)C1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(C2CCNCC2)C1 [R1]CC1CN(C1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.7/34.8/<5.0/14.5 18.75 0 linker/linker_2238.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2214 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CN(C3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)C2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 35 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(C2CCNCC2)C1 [R1]CC1CN(C2CCN([R2])CC2)C1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(C2CCNCC2)C1 [R1]CC1CN(C1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.5/56.7 31.1 0 linker/linker_2238.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2215 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC(C2)CN2CC3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 36 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(CC2CCNCC2)C1 [R1]CC1CN(CC2CCN([R2])CC2)C1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.6/22/<5.0/10.7 14.325 0 linker/linker_2147.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2216 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC(C2)CN2CC3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[3-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 36 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CN(CC2CCNCC2)C1 [R1]CC1CN(CC2CCN([R2])CC2)C1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13.3/56.5 34.9 0 linker/linker_2147.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2217 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(C3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 37 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(C2CCN([R2])CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/24.9/<5.0/8.8 10.925 0 linker/linker_2242.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2218 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(C3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 37 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(C2CCN([R2])CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/15.8 10.4 0 linker/linker_2242.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2219 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 38 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC2CCN([R2])CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/52.8/7/46.4 27.8 0 linker/linker_2149.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2220 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(C4=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=CC=C4)CC3)CC2)C=C1)(C)C7=CC=C(OC[C@H](O)CCl)C=C7 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 38 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC2CCN([R2])CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/51.5 28.25 0 linker/linker_2149.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2221 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)C3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 39 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(C3CCN([R2])CC3)C2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)C3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13.9/62.4/44.3/57.2 44.45 0 linker/linker_2246.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2222 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)C3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 39 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(C3CCN([R2])CC3)C2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(C3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)C3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 37.1/72.7 54.900000000000006 0 linker/linker_2246.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2223 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC(C3)CN3CC4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 40 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(CC3CCN([R2])CC3)C2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)CC3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/51.5/18.6/39.1 28.55 0 linker/linker_2248.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2224 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC(C3)CN3CC4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[3-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 40 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC2CN(CC3CCN([R2])CC3)C2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CN(CC3CCNCC3)C2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)CC3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/51.2 28.1 0 linker/linker_2248.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2225 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 41 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(C3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21.7/19.6 20.65 0 linker/linker_2250.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2226 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(C4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 41 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(C3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(C3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0 5.0 0 linker/linker_2250.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2227 P10275 Androgen receptor AR DHTR NR3C4 CC(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 42 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(CC3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30.8/8.34 19.57 0 linker/linker_2252.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2228 P10275 Androgen receptor V7 AR-V7 CC(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=C(C(N(C6CCC(NC6=O)=O)C7=O)=O)C7=CC=C5)CC4)CC3)CC2)C=C1)(C)C8=CC=C(OC[C@H](O)CCl)C=C8 CC(C)(C1=CC=C(OCC2CCN(CC3CCN(CC4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[[4-[[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 42 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC2CCN(CC3CCN([R2])CC3)CC2)CC1 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(CC2CCN(CC3CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8.1 8.1 0 linker/linker_2252.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2229 P10275 Androgen receptor AR DHTR NR3C4 O=C1N(C2CCC(NC2=O)=O)C(C3=C(N4CCC5(CCN(C(N(CC6)CCC6COC(C=C7)=CC=C7C(C)(C)C8=CC=C(OC[C@H](O)CCl)C=C8)=O)CC5)CC4)C=CC=C31)=O CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=CC5=C3C(=O)N(C3CCC(=O)NC3=O)C5=O)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 43 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(C)CC1)N2CCC3(CC2)CCNCC3 O=C(N1CCC(C[R1])CC1)N2CCC3(CC2)CCN([R2])CC3 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)N2CCC3(CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)C(=O)N2CCC3(CCN(CC3)[R2])CC2 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21.7/31.7/<5.0/<5.0 15.85 0 linker/linker_2254.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2230 P10275 Androgen receptor V7 AR-V7 O=C1N(C2CCC(NC2=O)=O)C(C3=C(N4CCC5(CCN(C(N(CC6)CCC6COC(C=C7)=CC=C7C(C)(C)C8=CC=C(OC[C@H](O)CCl)C=C8)=O)CC5)CC4)C=CC=C31)=O CC(C)(C1=CC=C(OCC2CCN(C(=O)N3CCC4(CC3)CCN(C3=CC=CC5=C3C(=O)N(C3CCC(=O)NC3=O)C5=O)CC4)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[3-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 43 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(C)CC1)N2CCC3(CC2)CCNCC3 O=C(N1CCC(C[R1])CC1)N2CCC3(CC2)CCN([R2])CC3 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)N2CCC3(CCNCC3)CC2)CC1 [R1]CC1CCN(CC1)C(=O)N2CCC3(CCN(CC3)[R2])CC2 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0 5.0 0 linker/linker_2254.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2231 P10275 Androgen receptor AR DHTR NR3C4 O=C(CCC1N(C2=O)C(C3=CC=CC(N4CCN(C5=CC=C(C(N6CCC(COC7=CC=C(C(C)(C(C=C8)=CC=C8OC[C@@H](CCl)O)C)C=C7)CC6)=O)C=C5)CC4)=C23)=O)NC1=O CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 44 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(C)CC1)C2=CC=C(C=C2)N3CCNCC3 O=C(N1CCC(C[R1])CC1)C2=CC=C(C=C2)N3CCN([R2])CC3 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)C2=CC=C(N3CCNCC3)C=C2)CC1 [R1]CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5.0/<5.0/10/14.9 8.725 0 linker/linker_2256.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2232 P10275 Androgen receptor V7 AR-V7 O=C(CCC1N(C2=O)C(C3=CC=CC(N4CCN(C5=CC=C(C(N6CCC(COC7=CC=C(C(C)(C(C=C8)=CC=C8OC[C@@H](CCl)O)C)C=C7)CC6)=O)C=C5)CC4)=C23)=O)NC1=O CC(C)(C1=CC=C(OCC2CCN(C(=O)C3=CC=C(N4CCN(C5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)C=C1)C1=CC=C(OC[C@H](O)CCl)C=C1 4-[4-[4-[4-[[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 44 [R1]OC1=CC=C(C(C)(C2=CC=C(OC[C@H](O)CCl)C=C2)C)C=C1 O=C(N1CCC(C)CC1)C2=CC=C(C=C2)N3CCNCC3 O=C(N1CCC(C[R1])CC1)C2=CC=C(C=C2)N3CCN([R2])CC3 O=C(C1=C2C([R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC[C@@H](CCl)O CC1CCN(C(=O)C2=CC=C(N3CCNCC3)C=C2)CC1 [R1]CC1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.5/47.9 28.7 0 linker/linker_2256.sdf warhead/warhead_2214.sdf e3_ligand/e3_ligand_16.sdf 2233 Q15004 PCNA-associated factor PCLAF KIAA0101 PAF15 C[C@H](CCC1[C@H]2C)C([C@@]13OO4)CC[C@]4(C)O[C@H]3O[C@@H]2OCCN(C(CCCCCCCNC5=CC=CC6=C5C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)CCO[C@@H](O8)[C@H](C)C(CC[C@H]9C)[C@]%10(C9CC%11)[C@H]8O[C@@]%11(OO%10)C C[C@@H]1CCC2[C@@H](C)[C@@H](OCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CCC6[C@H](C)CCC([C@H]3C)[C@]64OO5)C(=O)CCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)O[C@@H]3O[C@@]4(C)CCC1[C@@]23OO4 8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N,N-bis[2-[[(1R,5R,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^4,13.0^8,13]hexadecan-10-yl]oxy]ethyl]octanamide AD4 C[C@H](CCC1[C@H]2C)C([C@@]13OO4)CC[C@]4(C)O[C@H]3O[C@@H]2OCCN([R1])CCO[C@@H](O5)[C@H](C)C(CC[C@H]6C)[C@]7(C6CC8)[C@H]5O[C@@]8(OO7)C CCCCCCCC=O [R1]C(CCCCCCC[R2])=O O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCO[C@@H]1[C@@H](C2CC[C@H](C3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C)CCO[C@@H]5[C@@H](C6CC[C@H](C7[C@]68[C@H](O5)O[C@@](CC7)(OO8)C)C)C CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 54.92 50.6/235.3/342.8 54.92 209.5666666666667 1 linker/linker_257.sdf warhead/warhead_2278.sdf e3_ligand/e3_ligand_7.sdf 2234 Q12866 Tyrosine-protein kinase Mer MerTK MER O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C(S(N(CC4)CCN4CCOCCOCCOCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)(=O)=O)C=C3)C8=C2N=C(NCCCC)N=C8 CCCCNC1=NC=C2C(C3=CC=C(S(=O)(=O)N4CCN(CCOCCOCCOCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1 3-[5-[3-[2-[2-[2-[2-[4-[4-[2-(butylamino)-7-(4-hydroxycyclohexyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]sulfonylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-335 KTX-335 O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(NCCCC)N=C4 CCCOCCOCCOCCOCCN1CCN(S(=O)=O)CC1 [R1]S(N(CC1)CCN1CCOCCOCCOCCOCCC[R2])(=O)=O O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)NCCCC)[C@H]4CC[C@@H](CC4)O CCCOCCOCCOCCOCCN1CCN([SH](=O)=O)CC1 [R1]S(=O)(=O)N1CCN(CC1)CCOCCOCCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_2279.sdf warhead/warhead_2279.sdf e3_ligand/e3_ligand_2235.sdf 2235 Q12866 Tyrosine-protein kinase Mer MerTK MER O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C(CN(CC4)CCN4CCOCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)C=C3)C8=C2N=C(NCCC(F)(F)F)N=C8 CN1C(=O)N(C2CCC(=O)NC2=O)C2=CC=C(CCCOCCOCCN3CCN(CC4=CC=C(C5=CN([C@H]6CC[C@H](O)CC6)C6=NC(NCCC(F)(F)F)=NC=C56)C=C4)CC3)C=C21 3-[5-[3-[2-[2-[4-[[4-[7-(4-hydroxycyclohexyl)-2-(3,3,3-trifluoropropylamino)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-652 KTX-652 O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(NCCC(F)(F)F)N=C4 CCCOCCOCCN1CCN(C)CC1 [R2]CCCOCCOCCN1CCN(C[R1])CC1 O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)NCCC(F)(F)F)[C@H]4CC[C@@H](CC4)O CCCOCCOCCN1CCN(C)CC1 [R1]CN1CCN(CC1)CCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 60 60.0 0 linker/linker_2280.sdf warhead/warhead_2280.sdf e3_ligand/e3_ligand_2235.sdf 2236 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C(CN(CC4)CCN4CCOCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)C=C3)C8=C2N=C(NCCC(F)(F)F)N=C8 CN1C(=O)N(C2CCC(=O)NC2=O)C2=CC=C(CCCOCCOCCN3CCN(CC4=CC=C(C5=CN([C@H]6CC[C@H](O)CC6)C6=NC(NCCC(F)(F)F)=NC=C56)C=C4)CC3)C=C21 3-[5-[3-[2-[2-[4-[[4-[7-(4-hydroxycyclohexyl)-2-(3,3,3-trifluoropropylamino)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-652 KTX-652 O[C@H](CC1)CC[C@@H]1N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(NCCC(F)(F)F)N=C4 CCCOCCOCCN1CCN(C)CC1 [R2]CCCOCCOCCN1CCN(C[R1])CC1 O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)NCCC(F)(F)F)[C@H]4CC[C@@H](CC4)O CCCOCCOCCN1CCN(C)CC1 [R1]CN1CCN(CC1)CCOCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 50/50 50.0 0 linker/linker_2280.sdf warhead/warhead_2280.sdf e3_ligand/e3_ligand_2235.sdf 2237 Q12866 Tyrosine-protein kinase Mer MerTK MER O[C@@H]1CC[C@@H](N2C=C(C3=CC=C(CN(CC4)CCN4CCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)C=C3)C8=C2N=C(N[C@H](C)CC(F)(F)F)N=C8)CC1 C[C@H](CC(F)(F)F)NC1=NC=C2C(C3=CC=C(CN4CCN(CCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1 3-[5-[3-[3-[4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazin-1-yl]propoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-978 KTX-978 O[C@@H]1CC[C@@H](N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(N[C@H](C)CC(F)(F)F)N=C4)CC1 CCCOCCCN1CCN(CC1)C [R2]CCCOCCCN1CCN(C[R1])CC1 O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)N[C@@H](CC(F)(F)F)C)[C@H]4CC[C@@H](CC4)O CCCOCCCN1CCN(C)CC1 [R1]CN1CCN(CC1)CCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 66/65 65.5 0 linker/linker_2282.sdf warhead/warhead_2282.sdf e3_ligand/e3_ligand_2235.sdf 2238 P30530 Tyrosine-protein kinase receptor UFO AXL UFO O[C@@H]1CC[C@@H](N2C=C(C3=CC=C(CN(CC4)CCN4CCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)C=C3)C8=C2N=C(N[C@H](C)CC(F)(F)F)N=C8)CC1 C[C@H](CC(F)(F)F)NC1=NC=C2C(C3=CC=C(CN4CCN(CCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1 3-[5-[3-[3-[4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazin-1-yl]propoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-978 KTX-978 O[C@@H]1CC[C@@H](N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(N[C@H](C)CC(F)(F)F)N=C4)CC1 CCCOCCCN1CCN(CC1)C [R2]CCCOCCCN1CCN(C[R1])CC1 O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)N[C@@H](CC(F)(F)F)C)[C@H]4CC[C@@H](CC4)O CCCOCCCN1CCN(C)CC1 [R1]CN1CCN(CC1)CCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 25/50 37.5 0 linker/linker_2282.sdf warhead/warhead_2282.sdf e3_ligand/e3_ligand_2235.sdf 2239 Q06418 Tyrosine-protein kinase receptor TYRO3 TYRO3 BYK DTK O[C@@H]1CC[C@@H](N2C=C(C3=CC=C(CN(CC4)CCN4CCCOCCCC5=CC=C(C(N(C)C6=O)=C5)N6C(CC7)C(NC7=O)=O)C=C3)C8=C2N=C(N[C@H](C)CC(F)(F)F)N=C8)CC1 C[C@H](CC(F)(F)F)NC1=NC=C2C(C3=CC=C(CN4CCN(CCCOCCCC5=CC=C6C(=C5)N(C)C(=O)N6C5CCC(=O)NC5=O)CC4)C=C3)=CN([C@H]3CC[C@H](O)CC3)C2=N1 3-[5-[3-[3-[4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2R)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methyl]piperazin-1-yl]propoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione KTX-978 KTX-978 O[C@@H]1CC[C@@H](N2C=C(C3=CC=C([R1])C=C3)C4=C2N=C(N[C@H](C)CC(F)(F)F)N=C4)CC1 CCCOCCCN1CCN(CC1)C [R2]CCCOCCCN1CCN(C[R1])CC1 O=C1NC(C(N2C3=CC=C([R2])C=C3N(C)C2=O)CC1)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CN(C3=NC(=NC=C23)N[C@@H](CC(F)(F)F)C)[C@H]4CC[C@@H](CC4)O CCCOCCCN1CCN(C)CC1 [R1]CN1CCN(CC1)CCCOCCC[R2] [R2]C1=CC2=C(C=C1)N(C(=O)N2C)C3CCC(=O)NC3=O 55 55.0 0 linker/linker_2282.sdf warhead/warhead_2282.sdf e3_ligand/e3_ligand_2235.sdf 2240 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]amino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 18 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCC(N)=O)=O O=C(NCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCC(N)=O [R1]CC(=O)NCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 23 23.0 0 linker/linker_2285.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2241 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]amino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 19 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCCC(N)=O)=O O=C(NCCCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCCC(N)=O [R1]CC(=O)NCCCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 17/60 38.5 0 linker/linker_2286.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2242 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 20 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCCCCC(N)=O)=O O=C(NCCCCCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCCCCC(N)=O [R1]CC(=O)NCCCCCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 20/73 46.5 0 linker/linker_2287.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2243 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCCCCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-8-oxooctyl]amino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 21 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCCCCCCC(N)=O)=O O=C(NCCCCCCCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCCCCCCC(N)=O [R1]CC(=O)NCCCCCCCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 60/89 74.5 1 linker/linker_2288.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2244 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCCCCCCCCCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCCCCCCCCCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[[11-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-11-oxoundecyl]amino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 22 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCCCCCCCCCC(N)=O)=O O=C(NCCCCCCCCCCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCCCCCCCCCC(N)=O [R1]CC(=O)NCCCCCCCCCCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 41/87 64.0 0 linker/linker_2289.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2245 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCCCCCCCC(N4CCC(CCC(NC5=CC=CC6=C5CN(C6=O)C7CCC(NC7=O)=O)=O)CC4)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCCCCCCCC(=O)N3CCC(CCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[8-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]piperidin-1-yl]-8-oxooctoxy]anilino]-1H-pyrazole-4-carboxamide 23 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CCCCCCCC(N1CCC(CCC(N)=O)CC1)=O [R1]CCCCCCCC(N1CCC(CCC(N[R2])=O)CC1)=O [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CCCCCCCC(=O)N1CCC(CCC(N)=O)CC1 [R1]CCCCCCCC(=O)N1CCC(CC1)CCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 13/83 48.0 0 linker/linker_2290.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2246 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCOCCOCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 24 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCOCCOCC(N)=O)=O [R1]CC(NCCOCCOCC(N[R2])=O)=O [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCOCCOCC(N)=O [R1]CC(=O)NCCOCCOCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 29/49 39.0 0 linker/linker_2291.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2247 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCC(NCCOCCOCCOCC(NC4=CC=CC5=C4CN(C5=O)C6CCC(NC6=O)=O)=O)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCC(=O)NCCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 25 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(NCCOCCOCCOCC(N)=O)=O O=C(NCCOCCOCCOCC(N[R2])=O)C[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)NCCOCCOCCOCC(N)=O [R1]CC(=O)NCCOCCOCCOCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 49 49.0 0 linker/linker_2292.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_18.sdf 2248 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCCCCCCCC(N4CCN(C5=CC=C(NC6CCC(NC6=O)=O)C=C5F)CC4)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F NC(=O)C1=C(NC2=CC=CC(OCCCCCCCC(=O)N3CCN(C4=CC=C(NC5CCC(=O)NC5=O)C=C4F)CC3)=C2)[NH]N=C1C1=CC=C(NS(=O)(=O)C(F)F)C=C1 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]-8-oxooctoxy]anilino]-1H-pyrazole-4-carboxamide 34 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CCCCCCCC(N1CCNCC1)=O [R1]CCCCCCCC(N1CCN([R2])CC1)=O O=C(C(CC1)NC2=CC=C([R2])C(F)=C2)NC1=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CCCCCCCC(=O)N1CCNCC1 [R1]CCCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C(C=C(C=C1)NC2CCC(=O)NC2=O)F 15/81 48.0 0 linker/linker_2293.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_2249.sdf 2249 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL FC(S(NC1=CC=C(C2=NNC(NC3=CC(OCCCCCCCC(NCC4CCN(C(C5=CC=C(OC)C(N(CCC(N6)=O)C6=O)=C5)=O)CC4)=O)=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F COC1=CC=C(C(=O)N2CCC(CNC(=O)CCCCCCCOC3=CC=CC(NC4=C(C(N)=O)C(C5=CC=C(NS(=O)(=O)C(F)F)C=C5)=N[NH]4)=C3)CC2)C=C1N1CCC(=O)NC1=O 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[8-[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]methylamino]-8-oxooctoxy]anilino]-1H-pyrazole-4-carboxamide 35 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F O=C(CCCCCCC)NCC1CCN(CC1)C=O O=C(CCCCCCC[R1])NCC1CCN(CC1)C([R2])=O O=C1NC(CCN1C2=CC([R2])=CC=C2OC)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CCCCCCCC(=O)NCC1CCN(C=O)CC1 [R1]CCCCCCCC(=O)NCC1CCN(CC1)C(=O)[R2] [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 16/84 50.0 0 linker/linker_2294.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_1941.sdf 2250 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL O=C(N)C1=C(NC2=CC=CC(OCCCCCCCC(N(CC3)CCC43CCN(C(C5=CC=C(OC)C(N6CCC(NC6=O)=O)=C5)=O)CC4)=O)=C2)NN=C1C7=CC=C(NS(C(F)F)(=O)=O)C=C7 COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)CCCCCCCOC4=CC=CC(NC5=C(C(N)=O)C(C6=CC=C(NS(=O)(=O)C(F)F)C=C6)=N[NH]5)=C4)CC3)CC2)C=C1N1CCC(=O)NC1=O 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[8-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-8-oxooctoxy]anilino]-1H-pyrazole-4-carboxamide 36 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F O=C(CCCCCCC)N1CCC2(CC1)CCN(CC2)C=O O=C(CCCCCCC[R1])N1CCC2(CC1)CCN(CC2)C([R2])=O O=C1NC(CCN1C2=CC([R2])=CC=C2OC)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CCCCCCCC(=O)N1CCC2(CCN(C=O)CC2)CC1 [R1]CCCCCCCC(=O)N1CCC2(CCN(CC2)C(=O)[R2])CC1 [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 2400 26/93 2400.0 59.5 0 linker/linker_2295.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_1941.sdf 2251 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL O=C(N)C1=C(NC2=CC=CC(OCC(N3CCC(CCC(N4CCC5(CCN(C(C6=CC=C(OC)C(N7CCC(NC7=O)=O)=C6)=O)CC5)CC4)=O)CC3)=O)=C2)NN=C1C8=CC=C(NS(C(F)F)(=O)=O)C=C8 COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)CCC4CCN(C(=O)COC5=CC=CC(NC6=C(C(N)=O)C(C7=CC=C(NS(=O)(=O)C(F)F)C=C7)=N[NH]6)=C5)CC4)CC3)CC2)C=C1N1CCC(=O)NC1=O 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[4-[3-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-3-oxopropyl]piperidin-1-yl]-2-oxoethoxy]anilino]-1H-pyrazole-4-carboxamide 37 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F CC(N1CCC(CC1)CCC(N2CCC3(CC2)CCN(CC3)C=O)=O)=O O=C([R2])N(CC1)CCC1(CC2)CCN2C(CCC(CC3)CCN3C(C[R1])=O)=O O=C1NC(CCN1C2=CC([R2])=CC=C2OC)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CC(=O)N1CCC(CCC(=O)N2CCC3(CCN(C=O)CC3)CC2)CC1 [R1]CC(=O)N1CCC(CC1)CCC(=O)N2CCC3(CCN(CC3)C(=O)[R2])CC2 [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 26/81 53.5 0 linker/linker_2296.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_1941.sdf 2252 Q8NB16 Mixed Lineage Kinase domain-Like pseudokinase MLKL hMLKL O=C(N)C1=C(NC2=CC=CC(OCCOCCOCC(N(CC3)CCC43CCN(C(C5=CC=C(OC)C(N6CCC(NC6=O)=O)=C5)=O)CC4)=O)=C2)NN=C1C7=CC=C(NS(C(F)F)(=O)=O)C=C7 COC1=CC=C(C(=O)N2CCC3(CCN(C(=O)COCCOCCOC4=CC=CC(NC5=C(C(N)=O)C(C6=CC=C(NS(=O)(=O)C(F)F)C=C6)=N[NH]5)=C4)CC3)CC2)C=C1N1CCC(=O)NC1=O 3-[4-(difluoromethylsulfonylamino)phenyl]-5-[3-[2-[2-[2-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]-3,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethoxy]ethoxy]ethoxy]anilino]-1H-pyrazole-4-carboxamide 38 FC(S(NC1=CC=C(C2=NNC(NC3=CC(O[R1])=CC=C3)=C2C(N)=O)C=C1)(=O)=O)F O=C(COCCOCC)N1CCC2(CC1)CCN(CC2)C=O O=C(COCCOCC[R1])N1CCC2(CC1)CCN(CC2)C([R2])=O O=C1NC(CCN1C2=CC([R2])=CC=C2OC)=O CRBN Q96SW2 [R1]OC1=CC=CC(=C1)NC2=C(C(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C(F)F)C(=O)N CCOCCOCC(=O)N1CCC2(CCN(C=O)CC2)CC1 [R1]CCOCCOCC(=O)N1CCC2(CCN(CC2)C(=O)[R2])CC1 [R2]C1=CC(=C(C=C1)OC)N2CCC(=O)NC2=O 9 9.0 0 linker/linker_2297.sdf warhead/warhead_2285.sdf e3_ligand/e3_ligand_1941.sdf 2253 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CC [R2]CC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_9.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2254 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CC [R2]CC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_9.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2255 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCC [R2]CCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 132 132.0 1 linker/linker_10.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2256 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCC [R2]CCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 463 463.0 1 linker/linker_10.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2257 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCC [R2]CCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 134 134.0 1 linker/linker_7.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2258 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCC [R2]CCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_7.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2259 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 11 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCC [R2]CCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12 12.0 1 linker/linker_2.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2260 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 11 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCC [R2]CCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_2.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2261 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 12 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCC [R2]CCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16 16.0 1 linker/linker_12.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2262 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 12 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCC [R2]CCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 212 212.0 1 linker/linker_12.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2263 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 13 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCC [R2]CCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 1 linker/linker_13.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2264 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 13 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCC [R2]CCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23 23.0 1 linker/linker_13.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2265 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCC [R2]CCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 1 linker/linker_33.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2266 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCC [R2]CCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31 31.0 1 linker/linker_33.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2267 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCC [R2]CCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2 2.0 1 linker/linker_34.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2268 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[10-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCC [R2]CCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8 8.0 1 linker/linker_34.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2269 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCC [R2]CCCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6 6.0 1 linker/linker_35.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2270 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCC [R2]CCCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 47 47.0 1 linker/linker_35.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2271 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCCC [R2]CCCCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 1 linker/linker_36.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2272 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC(CCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=C(O)C=CC=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[12-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCCC [R2]CCCCCCCCCCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13 13.0 1 linker/linker_36.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2273 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]hexylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 18 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCC [R2]CCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCC [R1]CCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 18 18.0 1 linker/linker_12.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2274 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]hexylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 18 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCC [R2]CCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCC [R1]CCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 213 213.0 1 linker/linker_12.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2275 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]heptylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 19 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCC [R2]CCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCC [R1]CCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 96 96.0 1 linker/linker_13.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2276 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]heptylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 19 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCC [R2]CCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCC [R1]CCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 91 91.0 1 linker/linker_13.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2277 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[8-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]octylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 20 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCC [R2]CCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 67 67.0 1 linker/linker_33.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2278 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[8-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]octylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 20 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCC [R2]CCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 66 66.0 1 linker/linker_33.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2279 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]nonylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 21 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCC [R2]CCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 71 71.0 1 linker/linker_34.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2280 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]nonylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 21 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCC [R2]CCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 75 75.0 1 linker/linker_34.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2281 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[10-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]decylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 22 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCC [R2]CCCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 37 37.0 1 linker/linker_35.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2282 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[10-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]decylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 22 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCC [R2]CCCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 53 53.0 1 linker/linker_35.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2283 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[12-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]dodecylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 23 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCCCC [R2]CCCCCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 46 46.0 1 linker/linker_2328.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2284 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O[C@@H]1C[C@@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)CC(NCCCCCCCCCCCCN(N=C4)C=C4C5=C(N)N=NC(C6=CC=CC=C6O)=C5)=O)=O)N(C([C@H](C7=CC(C)=NO7)C(C)C)=O)C1 CC1=NOC([C@@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCCCCCCCCCN2C=C(C3=CC(C4=CC=CC=C4O)=NN=C3N)C=N2)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[12-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]dodecylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 23 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCCCCCCCC [R2]CCCCCCCCCCCC[R1] O=C(N[C@H](C1=CC=C(C(SC=N2)=C2C)C=C1)CC(N[R2])=O)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 90 90.0 1 linker/linker_2328.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_45.sdf 2285 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC([C@H](NC(COCCOCCOCCN1N=CC(C2=C(N=NC(C3=C(C=CC=C3)O)=C2)N)=C1)=O)C(N4[C@@H](C[C@H](C4)O)C(N[C@H](C5=CC=C(C=C5)C6=C(N=CS6)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 COCCOCCOCC [R2]COCCOCCOCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 455 455.0 1 linker/linker_168.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2286 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC([C@H](NC(COCCOCCOCCN1N=CC(C2=C(N=NC(C3=C(C=CC=C3)O)=C2)N)=C1)=O)C(N4[C@@H](C[C@H](C4)O)C(N[C@H](C5=CC=C(C=C5)C6=C(N=CS6)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 COCCOCCOCC [R2]COCCOCCOCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_168.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2287 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC([C@H](NC(CCOCCOCCN1N=CC(C2=C(N=NC(C3=C(C=CC=C3)O)=C2)N)=C1)=O)C(N4[C@@H](C[C@H](C4)O)C(N[C@H](C5=CC=C(C=C5)C6=C(N=CS6)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 25 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCOCCOCC [R2]CCOCCOCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 313 313.0 1 linker/linker_1.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2288 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC([C@H](NC(CCOCCOCCN1N=CC(C2=C(N=NC(C3=C(C=CC=C3)O)=C2)N)=C1)=O)C(N4[C@@H](C[C@H](C4)O)C(N[C@H](C5=CC=C(C=C5)C6=C(N=CS6)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCN3C=C(C4=CC(C5=CC=CC=C5O)=NN=C4N)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 25 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCOCCOCC [R2]CCOCCOCC[R1] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_1.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2289 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC([C@H](NC(CCN1CCN(CCCN2N=CC(C3=C(N=NC(C4=C(C=CC=C4)O)=C3)N)=C2)CC1)=O)C(N5[C@@H](C[C@H](C5)O)C(N[C@H](C6=CC=C(C=C6)C7=C(N=CS7)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 26 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCN1CCN(CCC)CC1 [R2]CCN1CCN(CCC[R1])CC1 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCN1CCN(CC)CC1 [R1]CCCN1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 682 682.0 1 linker/linker_2334.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2290 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC([C@H](NC(CCN1CCN(CCCN2N=CC(C3=C(N=NC(C4=C(C=CC=C4)O)=C3)N)=C2)CC1)=O)C(N5[C@@H](C[C@H](C5)O)C(N[C@H](C6=CC=C(C=C6)C7=C(N=CS7)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCN(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 26 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCN1CCN(CCC)CC1 [R2]CCN1CCN(CCC[R1])CC1 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCN1CCN(CC)CC1 [R1]CCCN1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 585 585.0 1 linker/linker_2334.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2291 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM CC([C@H](NC(CCN1CCC(CCCN2N=CC(C3=C(N=NC(C4=C(C=CC=C4)O)=C3)N)=C2)CC1)=O)C(N5[C@@H](C[C@H](C5)O)C(N[C@H](C6=CC=C(C=C6)C7=C(N=CS7)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCC(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propyl]piperidin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCN1CCC(CCC)CC1 [R2]CCN1CCC(CCC[R1])CC1 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1CCN(CC)CC1 [R1]CCCC1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_2336.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2292 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 CC([C@H](NC(CCN1CCC(CCCN2N=CC(C3=C(N=NC(C4=C(C=CC=C4)O)=C3)N)=C2)CC1)=O)C(N5[C@@H](C[C@H](C5)O)C(N[C@H](C6=CC=C(C=C6)C7=C(N=CS7)C)C)=O)=O)(C)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCN3CCC(CCCN4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]propyl]piperidin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 27 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCN1CCC(CCC)CC1 [R2]CCN1CCC(CCC[R1])CC1 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCC1CCN(CC)CC1 [R1]CCCC1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_2336.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2293 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(C2=CN(C3CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)CC3)N=C2)C=C(C7=C(O)C=CC=C7)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC(N4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 28 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCN1CCCCC1 [R1]C1CCN(CC1)CCCCC[R2] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCN1CCCCC1 [R1]C1CCN(CC1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6 6.0 1 linker/linker_2338.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2294 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=C(C2=CN(C3CCN(CCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)CC3)N=C2)C=C(C7=C(O)C=CC=C7)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCC(N4C=C(C5=CC(C6=CC=CC=C6O)=NN=C5N)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 28 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 CCCCCN1CCCCC1 [R1]C1CCN(CC1)CCCCC[R2] CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCCCCN1CCCCC1 [R1]C1CCN(CC1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 248 248.0 1 linker/linker_2338.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2295 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(C2=CN(C3CCC4(CN(C[C@@H](CC5)CC[C@H]5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 29 SMD-3040 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(CC1CCCCC1)(C2)CC32CCCCC3 [R1]C1CCC2(CC1)CN(C2)C[C@H]3CC[C@H]([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(CN2CC3(CCCCC3)C2)CC1 [R1]C1CCC2(CN(C2)C[C@H]3CC[C@@H](CC3)[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12/35/20/63 32.5 1 linker/linker_2340.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2296 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=C(C2=CN(C3CCC4(CN(C[C@@H](CC5)CC[C@H]5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 29 SMD-3040 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(CC1CCCCC1)(C2)CC32CCCCC3 [R1]C1CCC2(CC1)CN(C2)C[C@H]3CC[C@H]([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(CN2CC3(CCCCC3)C2)CC1 [R1]C1CCC2(CN(C2)C[C@H]3CC[C@@H](CC3)[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000/>1000 1000.0 0 linker/linker_2340.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2297 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(C2=CN(C3CCC4(CCN(C[C@@H](CC5)CC[C@H]5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-3-azaspiro[5.5]undecan-3-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 30 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(CC1CCCCC1)(CC2)CCC32CCCCC3 [R1]C1CCC2(CC1)CCN(CC2)C[C@H]3CC[C@H]([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(CN2CCC3(CCCCC3)CC2)CC1 [R1]C1CCC2(CCN(CC2)C[C@H]3CC[C@@H](CC3)[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5 5.0 1 linker/linker_2342.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2298 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=C(C2=CN(C3CCC4(CCN(C[C@@H](CC5)CC[C@H]5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3CC[C@H](CN4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-3-azaspiro[5.5]undecan-3-yl]methyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 30 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(CC1CCCCC1)(CC2)CCC32CCCCC3 [R1]C1CCC2(CC1)CCN(CC2)C[C@H]3CC[C@H]([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(CN2CCC3(CCCCC3)CC2)CC1 [R1]C1CCC2(CCN(CC2)C[C@H]3CC[C@@H](CC3)[R2])CC1 [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 219 219.0 1 linker/linker_2342.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2299 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(C2=CN(C3CCC4(CN(C(CC5)CCC5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 31 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(C1CCCCC1)(C2)CC32CCCCC3 [R1]C1CCC2(CC1)CN(C2)C3CCC([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(N2CC3(CCCCC3)C2)CC1 [R1]C1CCC2(CC1)CN(C2)C3CCC(CC3)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25 25.0 1 linker/linker_2344.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2300 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=C(C2=CN(C3CCC4(CN(C(CC5)CCC5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[7-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-2-azaspiro[3.5]nonan-2-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 31 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(C1CCCCC1)(C2)CC32CCCCC3 [R1]C1CCC2(CC1)CN(C2)C3CCC([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(N2CC3(CCCCC3)C2)CC1 [R1]C1CCC2(CC1)CN(C2)C3CCC(CC3)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >1000 1000.0 0 linker/linker_2344.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2301 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(C2=CN(C3CCC4(CCN(C(CC5)CCC5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-3-azaspiro[5.5]undecan-3-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 32 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(C1CCCCC1)(CC2)CCC32CCCCC3 [R1]C1CCC2(CC1)CCN(CC2)C3CCC([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(N2CCC3(CCCCC3)CC2)CC1 [R1]C1CCC2(CC1)CCN(CC2)C3CCC(CC3)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34 34.0 1 linker/linker_2346.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2302 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 NC1=C(C2=CN(C3CCC4(CCN(C(CC5)CCC5C(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC4)CC3)N=C2)C=C(C9=C(O)C=CC=C9)N=N1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCC(N4CCC5(CCC(N6C=C(C7=CC(C8=CC=CC=C8O)=NN=C7N)C=N6)CC5)CC4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[4-[9-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]-3-azaspiro[5.5]undecan-3-yl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 32 NC1=C(C2=CN([R1])N=C2)C=C(N=N1)C3=C(O)C=CC=C3 N(C1CCCCC1)(CC2)CCC32CCCCC3 [R1]C1CCC2(CC1)CCN(CC2)C3CCC([R2])CC3 CC1=C(C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@@H](NC([R2])=O)C(C)(C)C)=O)=O)C=C2)SC=N1 VHL P40337 [R1]N1C=C(C=N1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1CCC(N2CCC3(CCCCC3)CC2)CC1 [R1]C1CCC2(CC1)CCN(CC2)C3CCC(CC3)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 315 315.0 1 linker/linker_2346.sdf warhead/warhead_2298.sdf e3_ligand/e3_ligand_23.sdf 2303 P26447 Protein S100-A4 S100A4 CAPL MTS1 CC1=CC(C(NCCCCNC(COC(C=CC=C2C3=O)=C2C(N3C(C(N4)=O)CCC4=O)=O)=O)=O)=CC=C1N5C([C@H]6[C@H](C7)C=C[C@H]7[C@H]6C5=O)=O CC1=CC(C(=O)NCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC=C1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0^2,6]dec-8-en-4-yl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methylbenzamide RGC-01-05-18 RGC CC1=CC([R1])=CC=C1N2C([C@H]3[C@H](C4)C=C[C@H]4[C@H]3C2=O)=O OCC(NCCCCNC=O)=O [R1]C(NCCCCNC(CO[R2])=O)=O O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]C1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4)C O=CNCCCCNC(=O)CO [R1]C(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.5 3.5 1 linker/linker_2348.sdf warhead/warhead_2348.sdf e3_ligand/e3_ligand_16.sdf 2304 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN(C5CCN(CC5)C(CN6CCN(CC6)CCOCC(NC7=CC=C(C8=O)C(C(N8C(C(N9)=O)CCC9=O)=O)=C7)=O)=O)C2=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 2-[2-[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 1 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 NC(COCCN(CC1)CCN1CC=O)=O [R1]C(CN1CCN(CC1)CCOCC(N[R2])=O)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)COCCN1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)CCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28.5 28.5 0 linker/linker_2349.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2305 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N1CCC(N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C25)CC1)CN6CCN(CC6)CCOCCOCC(NC7=CC=C(C(N(C8=O)C9C(NC(CC9)=O)=O)=O)C8=C7)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CCOCCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 2-[2-[2-[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 2 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC1)CCOCCOCC(N)=O O=C([R1])CN1CCN(CC1)CCOCCOCC(N[R2])=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)COCCOCCN1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)CCOCCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 38.91 38.91 0 linker/linker_2350.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2306 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN(C5CCN(C(CCCN6CCN(CC6)CCOCC(NC7=CC=C(C(C(N8C9C(NC(CC9)=O)=O)=O)=C7)C8=O)=O)=O)CC5)C2=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(CCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 2-[2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutyl]piperazin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 3 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=C(N)COCCN(CC1)CCN1CCCC=O [R1]C(CCCN1CCN(CC1)CCOCC(N[R2])=O)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)COCCN1CCN(CCCC=O)CC1 [R1]C(=O)CCCN1CCN(CC1)CCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40.01 40.01 0 linker/linker_2351.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2307 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(N(C3CCN(CC3)C(CCCN4CCN(CC4)CCOCCOCC(NC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)=O)=O)N=C2C(C=C8)=CC=C8OC9=CC=CC=C9)=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(CCOCCOCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 2-[2-[2-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutyl]piperazin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 4 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=C(COCCOCCN1CCN(CC1)CCCC=O)N [R1]C(CCCN1CCN(CC1)CCOCCOCC(N[R2])=O)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)COCCOCCN1CCN(CCCC=O)CC1 [R1]C(=O)CCCN1CCN(CC1)CCOCCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 54.99 54.99 0 linker/linker_2352.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2308 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(CC1)NC(C1N(C(C2=C3)=O)C(C2=CC=C3NC(CCC(N4CCN(CCCC(N(CC5)CCC5N6N=C(C7=CC=C(C=C7)OC8=CC=CC=C8)C9=C(N)N=CN=C69)=O)CC4)=O)=O)=O)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CCCN2CCN(C(=O)CCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 4-[4-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-oxobutanamide 5 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCCCN1CCN(CC1)C(CCC(N)=O)=O O=C(CCCN1CCN(CC1)C(CCC(N[R2])=O)=O)[R1] O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)CCC(=O)N1CCN(CCCC=O)CC1 [R1]C(=O)CCCN1CCN(CC1)C(=O)CCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 41.81 41.81 0 linker/linker_2353.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2309 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=C2C(N(C3CCN(CC3)C(CN4CCN(CC4)C(CCC(NC5=CC=C6C(N(C7C(NC(CC7)=O)=O)C(C6=C5)=O)=O)=O)=O)=O)N=C2C8=CC=C(C=C8)OC9=CC=CC=C9)=NC=N1 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(C(=O)CCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 4-[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-oxobutanamide 6 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=C(CCC(N)=O)N1CCN(CC=O)CC1 O=C(CCC(N[R2])=O)N1CCN(CC([R1])=O)CC1 O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)CCC(=O)N1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)C(=O)CCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 61.5 61.5 0 linker/linker_2354.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2310 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(CN1CCN(C(CCCC(NC2=CC=C3C(N(C4CCC(NC4=O)=O)C(C3=C2)=O)=O)=O)=O)CC1)N(CC5)CCC5N(C6=NC=NC(N)=C67)N=C7C(C=C8)=CC=C8OC9=CC=CC=C9 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(C(=O)CCCC(=O)NC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 5-[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-5-oxopentanamide 7 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(C(CCCC(N)=O)=O)CC1 O=C(CN1CCN(C(CCCC(N[R2])=O)=O)CC1)[R1] O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N NC(=O)CCCC(=O)N1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)C(=O)CCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 61.87 61.87 0 linker/linker_2355.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2311 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(CC1)NC(C1N(C(C2=C3C=CC(C#CCN4CCN(CC(N(CC5)CCC5N6N=C(C7=CC=C(C=C7)OC8=CC=CC=C8)C9=C(N)N=CN=C69)=O)CC4)=C2)=O)C3=O)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)CC1 5-[3-[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC#C)CC1 [R1]C(CN1CCN(CC#C[R2])CC1)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(CC=O)CC1 [R1]C(=O)CN1CCN(CC1)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39.47 39.47 0 linker/linker_2356.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2312 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NN2C5CN(C(CN6CCC(CN7CCN(CC#CC(C=C8C9=O)=CC=C8C(N9C(CC%10)C(NC%10=O)=O)=O)CC7)CC6)=O)CCC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCCN(C(=O)CN2CCC(CN3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C1 5-[3-[4-[[1-[2-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 9 NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CN(CCC5)[R1] O=CCN1CCC(CN2CCN(CC#C)CC2)CC1 [R1]C(CN1CCC(CN2CCN(CC#C[R2])CC2)CC1)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(CC2CCN(CC=O)CC2)CC1 [R1]C(=O)CN1CCC(CC1)CN2CCN(CC2)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57.8 57.8 0 linker/linker_2357.sdf warhead/warhead_2357.sdf e3_ligand/e3_ligand_616.sdf 2313 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=CC(C#CCN4CCN(C5CCN(CC(N(CC6)CCC6N7N=C(C8=CC=C(C=C8)OC9=CC=CC=C9)C%10=C7N=CN=C%10N)=O)CC5)CC4)=CC=C13)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCC(N3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 5-[3-[4-[1-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]piperazin-1-yl]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 10 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN(CC1)CCC1N2CCN(CC#C)CC2 O=C(CN(CC1)CCC1N2CCN(CC#C[R2])CC2)[R1] O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(C2CCN(CC=O)CC2)CC1 [R1]C(=O)CN1CCC(CC1)N2CCN(CC2)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 33.62 33.62 0 linker/linker_2358.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2314 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(C#CCN4CCN(C5=NC=C(C(N(CC6)CCC6N(C7=NC=NC(N)=C78)N=C8C(C=C9)=CC=C9OC%10=CC=CC=C%10)=O)C=C5)CC4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)C2=CC=C(N3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1 5-[3-[4-[5-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]pyridin-2-yl]piperazin-1-yl]prop-1-ynyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 11 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CC(C=C1)=CN=C1N2CCN(CC#C)CC2 [R1]C(C(C=C1)=CN=C1N2CCN(CC#C[R2])CC2)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(C2=CC=C(C=O)C=N2)CC1 [R1]C(=O)C1=CN=C(C=C1)N2CCN(CC2)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47.43 47.43 0 linker/linker_2359.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2315 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CC6=CC=C(C#CC7CCN(CC7)C8=CC=C9C(N(C(CCC%10=O)C(N%10)=O)C(C9=C8)=O)=O)N=C6)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2=CC=C(C#CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1 5-[4-[2-[5-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]ethynyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 12 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 CC1=CC=C(C#CC2CCNCC2)N=C1 [R1]CC1=CC=C(C#CC2CCN(CC2)[R2])N=C1 O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC1=CC=C(C#CC2CCNCC2)N=C1 [R1]CC1=CN=C(C=C1)C#CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 51.1 62.68 51.1 62.68 1 linker/linker_2360.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2316 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C(C1=C2)=CC=C2N3CCN(C(C=C4)=NC=C4C(N(CC5)CCC5N(C6=C7C(N)=NC=N6)N=C7C8=CC=C(C=C8)OC9=CC=CC=C9)=O)CC3)N(C%10CCC(NC%10=O)=O)C1=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)C2=CC=C(N3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)N=C2)CC1 5-[4-[5-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]pyridin-2-yl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 13 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CC1=CN=C(C=C1)N2CCNCC2 [R1]C(C1=CN=C(C=C1)N2CCN([R2])CC2)=O O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N O=CC1=CC=C(N2CCNCC2)N=C1 [R1]C(=O)C1=CN=C(C=C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 26.87 71.7 26.87 71.7 1 linker/linker_2361.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2317 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N1C2CCC(NC2=O)=O)C3=CC=C(N(CC4)CCC4CN5CCN(CC(N6CCC(N(N=C7C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C7C(N)=NC=N%10)CC6)=O)CC5)C=C3C1=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 5-[4-[[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 14 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC2CCNCC2)CC1 O=C([R1])CN1CCN(CC2CCN([R2])CC2)CC1 O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N O=CCN1CCN(CC2CCNCC2)CC1 [R1]C(=O)CN1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.11/2.93 99.68 4.5200000000000005 99.68 1 linker/linker_2362.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2318 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N1C2CCC(NC2=O)=O)C3=CC=C(N(C4)CC4CN5CCN(CC(N6CCC(N(N=C7C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C7C(N)=NC=N%10)CC6)=O)CC5)C=C3C1=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)CC1 5-[3-[[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC2CNC2)CC1 O=C([R1])CN1CCN(CC2CN([R2])C2)CC1 O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N O=CCN1CCN(CC2CNC2)CC1 [R1]C(=O)CN1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.18/7.07 99.42 5.125 99.42 1 linker/linker_2363.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2319 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CC(CN5CC(CN6CCC(N7N=C(C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C(N)N=CN=C%107)CC6)C5)C4)=C3)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)C2)CC1 5-[3-[[3-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 16 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 CC1CN(C1)CC2CNC2 [R1]CC1CN(C1)CC2CN([R2])C2 O=C1CCC(N2C(C3=CC([R2])=CC=C3C2=O)=O)C(N1)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC1CN(CC2CNC2)C1 [R1]CC1CN(C1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31.49 31.49 0 linker/linker_2364.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_616.sdf 2320 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=CC=C3N4CCC(CN5CCN(CC(N(CC6)CCC6N(C7=C8C(N)=NC=N7)N=C8C9=CC=C(C=C9)OC%10=CC=CC=C%10)=O)CC5)CC4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1 4-[4-[[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 17 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC2CCNCC2)CC1 O=C(CN1CCN(CC2CCN([R2])CC2)CC1)[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N O=CCN1CCN(CC2CCNCC2)CC1 [R1]C(=O)CN1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.37/10.34 90.96 9.855 90.96 1 linker/linker_2362.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_16.sdf 2321 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N4CC(CN5CCN(CC(N6CCC(N7N=C(C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C(N)N=CN=C%107)CC6)=O)CC5)C4)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C(=O)CN2CCN(CC3CN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)CC1 4-[3-[[4-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 18 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 O=CCN1CCN(CC2CNC2)CC1 O=C(CN1CCN(CC2CN(C2)[R2])CC1)[R1] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N O=CCN1CCN(CC2CNC2)CC1 [R1]C(=O)CN1CCN(CC1)CC2CN(C2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7.27/9.06 67.51 8.165 67.51 1 linker/linker_2363.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_16.sdf 2322 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CC6CN(C6)CC7CCN(C8=C(C(N(C9C(NC(CC9)=O)=O)C%10=O)=O)C%10=CC=C8)CC7)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C2)CC1 4-[4-[[3-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 19 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 CC1CN(C1)CC2CCNCC2 [R1]CC1CN(C1)CC2CCN([R2])CC2 O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36.25 36.25 0 linker/linker_2147.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_16.sdf 2323 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC1=NC=NC2=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN(CC6CN(C6)CC7CN(C7)C8=C(C(N(C9C(NC(CC9)=O)=O)C%10=O)=O)C%10=CC=C8)CC5 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2CN(CC3CN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)C2)CC1 4-[3-[[3-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 20 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 CC1CN(C1)CC2CNC2 [R1]CC1CN(C1)CC2CN(C2)[R2] O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC1CN(CC2CNC2)C1 [R1]CC1CN(C1)CC2CN(C2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31.29 31.29 0 linker/linker_2364.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_16.sdf 2324 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(C2=C1C=CC=C2N(CC3)CCC3C#CC(N=C4)=CC=C4CN(CC5)CCC5N(C6=C7C(N)=NC=N6)N=C7C(C=C8)=CC=C8OC9=CC=CC=C9)=O)C(CCC%10=O)C(N%10)=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(CC2=CC=C(C#CC3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)CC1 4-[4-[2-[5-[[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pyridin-2-yl]ethynyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 [R1]N1CCC(N2C(N=CN=C3N)=C3C(C4=CC=C(OC5=CC=CC=C5)C=C4)=N2)CC1 CC1=CC=C(C#CC2CCNCC2)N=C1 [R1]CC1=CC=C(C#CC2CCN(CC2)[R2])N=C1 O=C1CCC(C(N1)=O)N2C(C3=C([R2])C=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N CC1=CC=C(C#CC2CCNCC2)N=C1 [R1]CC1=CN=C(C=C1)C#CC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 46.1 58.57 46.1 58.57 1 linker/linker_2360.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_16.sdf 2325 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NCCCCCCC(NO)=O)C1=CC=C(NC(CCCCCCCNC(COC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)=O)C=C1 O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO 4-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide A6 O=C(CCCCCCNC(C1=CC=C([R1])C=C1)=O)NO O=C(N)CCCCCCCNC(CO)=O O=C(N[R1])CCCCCCCNC(CO[R2])=O O=C(C1=C(C=CC=C1[R2])C2=O)N2C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO NC(=O)CCCCCCCNC(=O)CO [R1]NC(=O)CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.46 31170/17550/24460 3.46 24393.33333333333 1 linker/linker_2370.sdf warhead/warhead_2370.sdf e3_ligand/e3_ligand_16.sdf 2326 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NCCCCCCC(NO)=O)C1=CC=C(NC(CCCCCCCNC(COC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)=O)C=C1 O=C(CCCCCCNC(=O)C1=CC=C(NC(=O)CCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)NO 4-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide A6 O=C(CCCCCCNC(C1=CC=C([R1])C=C1)=O)NO O=C(N)CCCCCCCNC(CO)=O O=C(N[R1])CCCCCCCNC(CO[R2])=O O=C(C1=C(C=CC=C1[R2])C2=O)N2C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO NC(=O)CCCCCCCNC(=O)CO [R1]NC(=O)CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45030/>50000/>50000 48343.333333333336 0 linker/linker_2370.sdf warhead/warhead_2370.sdf e3_ligand/e3_ligand_16.sdf 2327 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCC4=CN(CCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCN4C=C(CCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]triazol-4-yl]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 13 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCN1N=NC(CCCC)=C1 [R2]OCCCCCN1N=NC(CCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCC1=CN(CCCCCO)N=N1 [R1]CCCCC1=CN(N=N1)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 130 240/1290/500 130.0 676.6666666666666 1 linker/linker_2372.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2328 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCC4=CN(CCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]triazol-4-yl]butyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 14 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCN1N=NC(CCCC)=C1 [R2]OCCCCN1N=NC(CCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCC1=CN(CCCCO)N=N1 [R1]CCCCC1=CN(N=N1)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 190/720/500 70.0 470.0 1 linker/linker_2373.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2329 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCC4=CN(CCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]triazol-4-yl]pentyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 15 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCN1N=NC(CCCCC)=C1 [R2]OCCCCN1N=NC(CCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCC1=CN(CCCCO)N=N1 [R1]CCCCCC1=CN(N=N1)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 400 190/690/400 400.0 426.6666666666667 1 linker/linker_2374.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2330 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCC4=CN(CCCCCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCCN4C=C(CCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[1-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]triazol-4-yl]ethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 16 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCCCCN1N=NC(CC)=C1 [R2]OCCCCCCCCN1N=NC(CC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCC1=CN(CCCCCCCCO)N=N1 [R1]CCC1=CN(N=N1)CCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 60 50/250/100 60.0 133.33333333333334 1 linker/linker_2375.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2331 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCC4=CN(CCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]triazol-4-yl]pentyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 17 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCN1N=NC(CCCCC)=C1 [R2]OCCCCCN1N=NC(CCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCC1=CN(CCCCCO)N=N1 [R1]CCCCCC1=CN(N=N1)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 950 130/450/260 950.0 280.0 1 linker/linker_2376.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2332 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCCC4=CN(CCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]triazol-4-yl]hexyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 18 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCN1N=NC(CCCCCC)=C1 [R2]OCCCCN1N=NC(CCCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCC1=CN(CCCCO)N=N1 [R1]CCCCCCC1=CN(N=N1)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100 70/260/120 100.0 150.0 1 linker/linker_2377.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2333 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCCC4=CN(CCCCCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCCN4C=C(CCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[6-[1-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctyl]triazol-4-yl]hexyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 19 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCCCCN1N=NC(CCCCCC)=C1 [R2]OCCCCCCCCN1N=NC(CCCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCC1=CN(CCCCCCCCO)N=N1 [R1]CCCCCCC1=CN(N=N1)CCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70/340/230 70.0 213.3333333333333 1 linker/linker_2378.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2334 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCCCC4=CN(CCCCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCN4C=C(CCCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[7-[1-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]triazol-4-yl]heptyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 20 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCCCN1N=NC(CCCCCCC)=C1 [R2]OCCCCCCCN1N=NC(CCCCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCCC1=CN(CCCCCCCO)N=N1 [R1]CCCCCCCC1=CN(N=N1)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 60 60/110/90 60.0 86.66666666666667 1 linker/linker_2379.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2335 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCCCCCCC4=CN(CCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCN4C=C(CCCCCCCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[10-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]triazol-4-yl]decyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 21 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCN1N=NC(CCCCCCCCCC)=C1 [R2]OCCCCN1N=NC(CCCCCCCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCCCCCCC1=CN(CCCCO)N=N1 [R1]CCCCCCCCCCC1=CN(N=N1)CCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 10/20/20 40.0 16.666666666666668 1 linker/linker_2380.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2336 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN(CCCCCC4=CN(CCCCCCCOC(C=CC=C5C6=O)=C5C(N6C(CC7)C(NC7=O)=O)=O)N=N4)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCCCCCCCN4C=C(CCCCCN5CCC(NC(=O)C6=C(NC(=O)C7=C(Cl)C=CC=C7Cl)C=N[NH]6)CC5)N=N4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[1-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyheptyl]triazol-4-yl]pentyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide 22 O=C(C1=C(C=NN1)NC(C2=C(C=CC=C2Cl)Cl)=O)NC3CCN([R1])CC3 OCCCCCCCN1N=NC(CCCCC)=C1 [R2]OCCCCCCCN1N=NC(CCCCC[R1])=C1 O=C(C(CC1)N2C(C3=C([R2])C=CC=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl CCCCCC1=CN(CCCCCCCO)N=N1 [R1]CCCCCC1=CN(N=N1)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100 50/80/80 100.0 70.0 1 linker/linker_2381.sdf warhead/warhead_489.sdf e3_ligand/e3_ligand_16.sdf 2337 P40337 von Hippel-Lindau VHL pVHL O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(COCCNC(C4=CN(C(C=C4)=O)CCOCC(N[C@H](C(N5[C@@H](C[C@H](C5)O)C(NCC(C=C6)=CC=C6C7=C(C)N=CS7)=O)=O)C(C)(C)C)=O)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C3=CN(CCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1 N,1-bis[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethyl]-6-oxopyridine-3-carboxamide WJ621 O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R1])=O)=O O=C(C1=CN(CCOC)C(C=C1)=O)NCCOC O=C(C1=CN(CCOC[R1])C(C=C1)=O)NCCOC[R2] CC(C)([C@H](NC([R2])=O)C(N1[C@@H](C[C@H](C1)O)C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)C VHL P40337 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C COCCNC(=O)C1=CN(CCOC)C(=O)C=C1 [R1]COCCN1C=C(C=CC1=O)C(=O)NCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 85/58 71.5 1 linker/linker_2382.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_27.sdf 2338 P40337 von Hippel-Lindau VHL pVHL O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(COCCOCCNC(C(C=CC4=O)=CN4CCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=CN(CCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1 N,1-bis[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethyl]-6-oxopyridine-3-carboxamide WJ657 O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R1])=O)=O COCCOCCNC(C(C=C1)=CN(CCOCCOC)C1=O)=O O=C1C=CC(C(NCCOCCOC[R2])=O)=CN1CCOCCOC[R1] CC(C)([C@H](NC([R2])=O)C(N1[C@@H](C[C@H](C1)O)C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)C VHL P40337 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C COCCOCCNC(=O)C1=CN(CCOCCOC)C(=O)C=C1 [R1]COCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 73/46 59.5 0 linker/linker_2383.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_27.sdf 2339 P40337 von Hippel-Lindau VHL pVHL CC(N=CS1)=C1C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@@H](NC(COCCOCCOCCN4C=C(C(NCCOCCOCCOCC(N[C@H](C(N5C[C@H](O)C[C@H]5C(NCC6=CC=C(C7=C(N=CS7)C)C=C6)=O)=O)C(C)(C)C)=O)=O)C=CC4=O)=O)C(C)(C)C)=O)O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=CN(CCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1 N,1-bis[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-6-oxopyridine-3-carboxamide WJ662 O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R1])=O)=O COCCOCCOCCN1C=C(C=CC1=O)C(NCCOCCOCCOC)=O O=C(NCCOCCOCCOC[R2])C(C=CC1=O)=CN1CCOCCOCCOC[R1] CC(C)([C@H](NC([R2])=O)C(N1[C@@H](C[C@H](C1)O)C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)C VHL P40337 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C COCCOCCOCCNC(=O)C1=CN(CCOCCOCCOC)C(=O)C=C1 [R1]COCCOCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 220 94/78 220.0 86.0 1 linker/linker_2384.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_27.sdf 2340 P40337 von Hippel-Lindau VHL pVHL O=C(NCC1=CC=C(C2=C(N=CS2)C)C=C1)[C@@H]3C[C@@H](O)CN3C([C@@H](NC(COCCOCCOCCOCCNC(C(C=C4)=CN(CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](C[C@H]5C(NCC6=CC=C(C=C6)C7=C(N=CS7)C)=O)O)=O)=O)C4=O)=O)=O)C(C)(C)C)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)C3=CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C(=O)C=C3)C(C)(C)C)C=C2)SC=N1 N,1-bis[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-oxopyridine-3-carboxamide WJ663 O=C(NCC1=CC=C(C(SC=N2)=C2C)C=C1)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R1])=O)=O COCCOCCOCCOCCNC(C(C=CC1=O)=CN1CCOCCOCCOCCOC)=O O=C1N(CCOCCOCCOCCOC[R1])C=C(C=C1)C(NCCOCCOCCOCCOC[R2])=O CC(C)([C@H](NC([R2])=O)C(N1[C@@H](C[C@H](C1)O)C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)C VHL P40337 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C COCCOCCOCCOCCNC(=O)C1=CN(CCOCCOCCOCCOC)C(=O)C=C1 [R1]COCCOCCOCCOCCN1C=C(C=CC1=O)C(=O)NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 89/66 77.5 1 linker/linker_2385.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_27.sdf 2341 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)C4=CC=NC(N5CCN(C6=CC(C7=CC=CC=C7O)=NN=C6N)CC5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-4-carboxamide 1 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 C1=CC=NC=C1 [R1]C1=CC([R2])=CC=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1=CC=NC=C1 [R1]C1=NC=CC(=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28 28.0 1 linker/linker_2391.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2342 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)C4=NC(N5CCN(C6=CC(C7=CC=CC=C7O)=NN=C6N)CC5)=CC=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1 6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-2-carboxamide 2 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 C1=NC=CC=C1 [R1]C1=CC=CC([R2])=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1=CC=NC=C1 [R1]C1=NC(=CC=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 95 95.0 1 linker/linker_2391.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2343 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM NC1=C(N2CCN(CC2)C3=NC=C(C(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@H](C5=CC=C(C6=C(N=CS6)C)C=C5)C)=O)=O)=O)C=C3)C=C(N=N1)C7=C(O)C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=C(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)N=C3)C(C)(C)C)C=C2)SC=N1 6-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-3-carboxamide 3 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 C1=NC=CC=C1 [R1]C1=NC=C([R2])C=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1=CC=NC=C1 [R1]C1=NC=C(C=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_2391.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2344 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2=CC=CC(N3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]benzoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 C1=CC=CC=C1 [R1]C1=CC=CC([R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1=CC=CC=C1 [R1]C1=CC(=CC=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 99 99.0 1 linker/linker_2394.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2345 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(C1=CSC(N2CCN(C3=CC(C4=CC=CC=C4O)=NN=C3N)CC2)=N1)N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CSC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1,3-thiazole-4-carboxamide 5 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 C1=NC=CS1 [R1]C1=NC([R2])=CS1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O C1=CSC=N1 [R1]C1=NC(=CS1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 112 112.0 1 linker/linker_2395.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2346 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(CC2=CC(N3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=NC=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CC3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyridin-4-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 CC1=CC=NC=C1 [R1]C1=NC=CC(C[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CC1=CC=NC=C1 [R1]C1=NC=CC(=C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 850 850.0 1 linker/linker_2396.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2347 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(CCC2=CC(N3CCN(C4=CC(C5=CC=CC=C5O)=NN=C4N)CC3)=NC=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC3=CC=NC(N4CCN(C5=CC(C6=CC=CC=C6O)=NN=C5N)CC4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyridin-4-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8 OC1=CC=CC=C1C2=NN=C(N)C(N3CCN([R1])CC3)=C2 CCC1=CC=NC=C1 [R1]C1=NC=CC(CC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2N)C3=CC=CC=C3O CCC1=CC=NC=C1 [R1]C1=NC=CC(=C1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 379 379.0 1 linker/linker_2397.sdf warhead/warhead_670.sdf e3_ligand/e3_ligand_23.sdf 2348 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)C4=NC(N5CCN(C6=C(N)N=NC(C7=CC=CC=C7O)=N6)CC5)=CC=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=CC(N4CCN(C5=NC(C6=CC=CC=C6O)=NN=C5N)CC4)=N3)C(C)(C)C)C=C2)SC=N1 6-[4-[6-amino-3-(2-hydroxyphenyl)-1,2,4-triazin-5-yl]piperazin-1-yl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]pyridine-2-carboxamide 9 OC1=CC=CC=C1C2=NC(N3CCN([R1])CC3)=C(N)N=N2 C1=NC=CC=C1 [R1]C1=CC=CC([R2])=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=C(N=NC(=N2)C3=CC=CC=C3O)N C1=CC=NC=C1 [R1]C1=NC(=CC=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 372 372.0 1 linker/linker_2391.sdf warhead/warhead_2398.sdf e3_ligand/e3_ligand_23.sdf 2349 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)C4=CC=NC(N5CCN(C6=CC(C7=CC=CC=C7O)=NN=C6)CC5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CC=NC(N4CCN(C5=CN=NC(C6=CC=CC=C6O)=C5)CC4)=C3)C(C)(C)C)C=C2)SC=N1 N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-[4-[6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]pyridine-4-carboxamide 10 OC1=CC=CC=C1C2=NN=CC(N3CCN([R1])CC3)=C2 C1=CC=NC=C1 [R1]C1=CC([R2])=CC=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=CC(=NN=C2)C3=CC=CC=C3O C1=CC=NC=C1 [R1]C1=NC=CC(=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 469 469.0 1 linker/linker_2391.sdf warhead/warhead_2399.sdf e3_ligand/e3_ligand_23.sdf 2350 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 3-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide D1 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCC(N)=O O=C(N[R2])CC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCC(N)=O [R1]CCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7.03/75.55/1260 447.5266666666666 1 linker/linker_2400.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2351 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 4-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide D2 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCC(N)=O O=C(N[R2])CCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCC(N)=O [R1]CCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10.9/65.8/653 243.2333333333333 1 linker/linker_1262.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2352 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 5-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide D3 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCC(N)=O O=C(N[R2])CCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.1/8.3 9.45/76.3/413 5.7 166.25 1 linker/linker_1831.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2353 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 6-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide D4 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCCC(N)=O O=C(N[R2])CCCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8.05/51.6/1640 566.5500000000001 1 linker/linker_1263.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2354 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 7-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide D5 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCCCC(N)=O O=C(N[R2])CCCCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCCCC(N)=O [R1]CCCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.63/96.8/1035 379.1433333333334 1 linker/linker_1177.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2355 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 8-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide D6 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCCCCC(N)=O O=C(N[R2])CCCCCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCCCCC(N)=O [R1]CCCCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.5/159/8695 2957.833333333333 0 linker/linker_1837.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2356 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 9-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonanamide D7 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCCCCCC(N)=O O=C(N[R2])CCCCCCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCCCCCC(N)=O [R1]CCCCCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 21.4/103/45620 15248.133333333331 0 linker/linker_2406.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2357 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCCCCCCC(=O)NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 10-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide D8 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCC[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCCCCCCC(N)=O [R1]CCCCCCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 37.9/226/21040 7101.3 0 linker/linker_1838.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2358 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)CCCCN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CCCCC(=O)NC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1 5-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentanamide D9 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.98/7.21/977 329.3966666666667 1 linker/linker_1831.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2359 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)CN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1 2-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethyl]acetamide D10 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(NCCOCCN)=O O=C(NCCOCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)NCCOCCN [R1]CC(=O)NCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.69/0.77 3.34/5.89/511 0.73 173.41 1 linker/linker_2076.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2360 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NCCOCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)CN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1 2-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethyl]acetamide D11 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(NCCOCCOCCN)=O O=C(NCCOCCOCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)NCCOCCOCCN [R1]CC(=O)NCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.55/6.19/1150 387.2466666666666 1 linker/linker_678.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2361 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NCCOCCOCCOCCNC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)CN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCOCCOCCNC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=N4)=C3)C(=O)C=C2)=C1 2-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide D12 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(NCCOCCOCCOCCN)=O O=C(NCCOCCOCCOCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)NCCOCCOCCOCCN [R1]CC(=O)NCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.7/2.7 4.61/7.72/433 2.2 148.44333333333333 1 linker/linker_2081.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2362 P08581 Hepatocyte growth factor receptor c-Met MET O=C(NCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCC(COC5=CN=C(C6=CC=CC(CN7C(C=CC(C8=CC=CC(C#N)=C8)=N7)=O)=C6)N=C5)CC4 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)NCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=N4)=C3)C(=O)C=C2)=C1 2-[4-[[2-[3-[[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxymethyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]acetamide D13 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(NCCOCCN)=O O=C(NCCOCCN[R2])C[R1] [R2]C1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)NCCOCCN [R1]CC(=O)NCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.85/24.7/3290 1106.85 0 linker/linker_2076.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_16.sdf 2363 P08581 Hepatocyte growth factor receptor c-Met MET N#CC1=CC=CC(C(C=C2)=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(N6CCN(CCNC7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C=N4)=C3)C2=O)=C1 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)N6CCN(CCNC7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=N4)=C3)C(=O)C=C2)=C1 3-[1-[[3-[5-[[1-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile D14 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(N1CCN(CCN)CC1)=O O=C(N1CCN(CCN[R2])CC1)C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)N1CCN(CCN)CC1 [R1]CC(=O)N1CCN(CC1)CCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.83/0.60 2.44/3.88/665 0.715 223.7733333333333 1 linker/linker_2413.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2364 P08581 Hepatocyte growth factor receptor c-Met MET N#CC1=CC=CC(C(C=C2)=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(N6CCN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C=N4)=C3)C2=O)=C1 N#CC1=CC=CC(C2=NN(CC3=CC=CC(C4=NC=C(OCC5CCN(CC(=O)N6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=N4)=C3)C(=O)C=C2)=C1 3-[1-[[3-[5-[[1-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile D15 [R1]N1CCC(COC2=CN=C(C3=CC=CC(CN4C(C=CC(C5=CC=CC(C#N)=C5)=N4)=O)=C3)N=C2)CC1 CC(N1CCNCC1)=O O=C(N1CCN([R2])CC1)C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N CC(=O)N1CCNCC1 [R1]CC(=O)N1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.44/0.35 2.11/3.50/377 0.395 127.53666666666668 1 linker/linker_2414.sdf warhead/warhead_2400.sdf e3_ligand/e3_ligand_616.sdf 2365 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)CCC2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3)=O)C=C2 CC1=CC=C(NC(=O)CCC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]propanamide 9a CC1=C(Cl)C=C(NC([R1])=O)C=C1 CC [R1]CC[R2] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CC [R1]CC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 143 143.0 1 linker/linker_9.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_21.sdf 2366 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)CCC2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3=O)=O)C=C2 CC1=CC=C(NC(=O)CCC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propanamide 9b CC1=C(Cl)C=C(NC([R1])=O)C=C1 CC [R1]CC[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CC [R1]CC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 447 447.0 1 linker/linker_9.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_616.sdf 2367 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)CCC2=CC=CC3=C2CN(C(CC4)C(NC4=O)=O)C3=O CC1=CC=C(NC(=O)CCC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide 9c CC1=C(Cl)C=C(NC([R1])=O)C=C1 CC [R1]CC[R2] [R2]C1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CC [R1]CC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3063 3063.0 0 linker/linker_9.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_18.sdf 2368 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)CCC2=CC3=C(CN(C(CC4)C(NC4=O)=O)C3=O)C=C2 CC1=CC=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9d CC1=C(Cl)C=C(NC([R1])=O)C=C1 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 18 18.0 1 linker/linker_9.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_22.sdf 2369 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)CNC2=CC3=C(CN(C(CC4)C(NC4=O)=O)C3=O)C=C2 CC1=CC=C(NC(=O)CNC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]acetamide 9e CC1=C(Cl)C=C(NC([R1])=O)C=C1 CN [R1]CN[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CN [R1]CN[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 >10000 10000.0 0 linker/linker_2419.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_22.sdf 2370 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)COC2=CC3=C(CN(C(CC4)C(NC4=O)=O)C3=O)C=C2 CC1=CC=C(NC(=O)COC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]oxy]acetamide 9f CC1=C(Cl)C=C(NC([R1])=O)C=C1 CO [R1]CO[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CO [R1]CO[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 >10000 10000.0 0 linker/linker_134.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_22.sdf 2371 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)/C=C/C2=CC3=C(CN(C(CC4)C(NC4=O)=O)C3=O)C=C2 CC1=CC=C(NC(=O)/C=C/C2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl (E)-N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]prop-2-enamide 9g CC1=C(Cl)C=C(NC([R1])=O)C=C1 C=C [R1]/C=C\[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl C=C [R1]/C=C\[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 >10000 10000.0 0 linker/linker_2421.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_22.sdf 2372 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A CC(C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1)CC(NC4=CC=C(C)C(Cl)=C4)=O CC1=CC=C(NC(=O)CC(C)C2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]butanamide 9h CC1=C(Cl)C=C(NC([R1])=O)C=C1 CCC CC([R2])C[R1] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CCC [R1]CC([R2])C [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 >10000 10000.0 0 linker/linker_10.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_22.sdf 2373 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC=C(C)C(Cl)=C1)C(C)CC2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3)=O)C=C2 CC1=CC=C(NC(=O)C(C)CC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)CC3=C2)C=C1Cl N-(3-chloro-4-methylphenyl)-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-methylpropanamide 9i CC1=C(Cl)C=C(NC([R1])=O)C=C1 CCC CC([R1])C[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2)=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C=C1)C)Cl CCC [R1]C(C)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_10.sdf warhead/warhead_2415.sdf e3_ligand/e3_ligand_21.sdf 2374 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CCN(C)CC2)=C(C)C(Cl)=C1)CCC3=CC4=C(CN(C(CC5)C(NC5=O)=O)C4=O)C=C3 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C)CC1 N-[3-chloro-4-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9j [R1]C(NC1=CC(CN2CCN(C)CC2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CCN(CC2)C CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 2204 2204.0 0 linker/linker_9.sdf warhead/warhead_2424.sdf e3_ligand/e3_ligand_22.sdf 2375 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CCOCC2)=C(C)C(Cl)=C1)CCC3=CC4=C(CN(C(CC5)C(NC5=O)=O)C4=O)C=C3 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCOCC1 N-[3-chloro-4-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9k [R1]C(NC1=CC(CN2CCOCC2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CCOCC2 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 48 48.0 1 linker/linker_9.sdf warhead/warhead_2425.sdf e3_ligand/e3_ligand_22.sdf 2376 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CCN(C3CCOCC3)CC2)=C(C)C(Cl)=C1)CCC4=CC5=C(CN(C(CC6)C(NC6=O)=O)C5=O)C=C4 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C2CCOCC2)CC1 N-[3-chloro-4-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9l [R1]C(NC1=CC(CN2CCN(C3CCOCC3)CC2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CCN(CC2)C3CCOCC3 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 251 251.0 1 linker/linker_9.sdf warhead/warhead_2426.sdf e3_ligand/e3_ligand_22.sdf 2377 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CCC(N3CCOCC3)CC2)=C(C)C(Cl)=C1)CCC4=CC5=C(CN(C(CC6)C(NC6=O)=O)C5=O)C=C4 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCC(N2CCOCC2)CC1 N-[3-chloro-4-methyl-5-[(4-morpholin-4-ylpiperidin-1-yl)methyl]phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9m [R1]C(NC1=CC(CN2CCC(N3CCOCC3)CC2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CCC(CC2)N3CCOCC3 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 176 176.0 1 linker/linker_9.sdf warhead/warhead_2427.sdf e3_ligand/e3_ligand_22.sdf 2378 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CCN(C3COC3)CC2)=C(C)C(Cl)=C1)CCC4=CC5=C(CN(C(CC6)C(NC6=O)=O)C5=O)C=C4 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CCN(C2COC2)CC1 N-[3-chloro-4-methyl-5-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9n [R1]C(NC1=CC(CN2CCN(C3COC3)CC2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CCN(CC2)C3COC3 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 220 220.0 1 linker/linker_9.sdf warhead/warhead_2428.sdf e3_ligand/e3_ligand_22.sdf 2379 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(CN2CC(N3CCOCC3)C2)=C(C)C(Cl)=C1)CCC4=CC5=C(CN(C(CC6)C(NC6=O)=O)C5=O)C=C4 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CC(N2CCOCC2)C1 N-[3-chloro-4-methyl-5-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9o [R1]C(NC1=CC(CN2CC(N3CCOCC3)C2)=C(C)C(Cl)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CC(C2)N3CCOCC3 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 208 208.0 1 linker/linker_9.sdf warhead/warhead_2429.sdf e3_ligand/e3_ligand_22.sdf 2380 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A O=C(NC1=CC(Cl)=C(C)C(CN(C2)CC32COC3)=C1)CCC4=CC5=C(CN(C(CC6)C(NC6=O)=O)C5=O)C=C4 CC1=C(Cl)C=C(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)C=C1CN1CC2(COC2)C1 N-[3-chloro-4-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9p [R1]C(NC1=CC(Cl)=C(C)C(CN(C2)CC32COC3)=C1)=O CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN2CC3(C2)COC3 CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 86 86.0 1 linker/linker_9.sdf warhead/warhead_2430.sdf e3_ligand/e3_ligand_22.sdf 2381 P15170 G1 to S phase transition protein 1 homolog GSPT1 ERF3A ClC1=CC(NC(CCC2=CC(C3=O)=C(C=C2)CN3C(C4=O)CCC(N4)=O)=O)=CC(CN(C)CCOC)=C1C COCCN(C)CC1=CC(NC(=O)CCC2=CC=C3CN(C4CCC(=O)NC4=O)C(=O)C3=C2)=CC(Cl)=C1C N-[3-chloro-5-[[2-methoxyethyl(methyl)amino]methyl]-4-methylphenyl]-3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanamide 9q ClC1=CC(NC([R1])=O)=CC(CN(C)CCOC)=C1C CC [R1]CC[R2] [R2]C1=CC2=C(CN(C(CC3)C(NC3=O)=O)C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)NC1=CC(=C(C(=C1)Cl)C)CN(C)CCOC CC [R1]CC[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 35 190/6/27 35.0 74.33333333333333 1 linker/linker_9.sdf warhead/warhead_2431.sdf e3_ligand/e3_ligand_22.sdf 2382 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-a O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CC [R1]CC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42140 42140.0 0 linker/linker_9.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2383 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-b O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCC [R1]CCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11200 11200.0 0 linker/linker_10.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2384 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-c O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCCC [R1]CCCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10200 10200.0 0 linker/linker_7.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2385 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-d O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCCCC [R1]CCCCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 210 18210 210.0 18210.0 1 linker/linker_2.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2386 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-e O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9582 9582.0 0 linker/linker_12.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2387 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCCCCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-f O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23110 23110.0 0 linker/linker_33.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2388 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCCCCCCCCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide I-g O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 17750 17750.0 0 linker/linker_35.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2389 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCOCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide II-a O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCOCC [R1]CCOCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6658 6658.0 0 linker/linker_14.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2390 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCOCCCOCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCOCCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[2-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propoxy]ethyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide II-b O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCOCCCOCC [R1]CCOCCCOCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCOCCCOCC [R1]CCOCCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5981 5981.0 0 linker/linker_2440.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2391 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(C#N)=C[C@@]2(C)C(CC[C@]([C@@]3(C)C4C5[C@@](CCC(C)(C)C5)(C(NCCOCCCOCCCOCCNC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O)CC3)(C)C2=CC4=O)C1(C)C CC1(C)CC[C@]2(C(=O)NCCOCCCOCCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC[C@]3(C)C(C(=O)C=C4[C@@]3(C)CCC3C(C)(C)C(=O)C(C#N)=C[C@]43C)C2C1 (4aS,6aR,6bS,12aS)-11-cyano-N-[2-[3-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propoxy]propoxy]ethyl]-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide II-c O=C1C(C#N)=C[C@]2(C(C1(C)C)CC[C@](C)(C2=CC3=O)[C@]4(C3C5[C@@](C(N[R1])=O)(CC4)CCC(C)(C5)C)C)C CCOCCCOCCCOCC [R1]CCOCCCOCCCOCC[R2] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]NC(=O)[C@@]12CC[C@@]3(C(C1CC(CC2)(C)C)C(=O)C=C4[C@]3(CCC5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C CCOCCCOCCCOCC [R1]CCOCCCOCCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5746 5746.0 0 linker/linker_2441.sdf warhead/warhead_2432.sdf e3_ligand/e3_ligand_7.sdf 2392 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C2)CCC32CCN(C(C4=CC=C(N5CCN(CC6CCN(C7=CC8=C(C(N(C(C(N9)=O)CCC9=O)C8=O)=O)C=C7)CC6)CC5)C=C4)=O)CC3)=C1 N#CC1=CC=C(N2CCC3(CCN(C(=O)C4=CC=C(N5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 16 ARD-1551 ClC1=C(C=CC(N2CC3(CCN(CC3)C(C4=CC=C([R1])C=C4)=O)CC2)=C1)C#N N1(CC2CCNCC2)CCNCC1 [R1]N1CCN(CC1)CC2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl C1CC(CN2CCNCC2)CCN1 [R1]N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/<5/33 14.333333333333334 0 linker/linker_1235.sdf warhead/warhead_2442.sdf e3_ligand/e3_ligand_616.sdf 2393 P10275 Androgen receptor AR DHTR NR3C4 ClC1=C(C#N)C=CC(N(C2)CCC32CCN(C(C4=CC=C(N5CCN(C6CCN(C7=CC8=C(C(N(C(C(N9)=O)CCC9=O)C8=O)=O)C=C7)CC6)CC5)C=C4)=O)CC3)=C1 N#CC1=CC=C(N2CCC3(CCN(C(=O)C4=CC=C(N5CCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]benzoyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 17 ARD-1048 ClC1=C(C=CC(N2CC3(CCN(CC3)C(C4=CC=C([R1])C=C4)=O)CC2)=C1)C#N N1(C2CCNCC2)CCNCC1 [R1]N1CCN(CC1)C2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl C1CC(N2CCNCC2)CCN1 [R1]N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/43/56 34.666666666666664 0 linker/linker_1332.sdf warhead/warhead_2442.sdf e3_ligand/e3_ligand_616.sdf 2394 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(CC4)CCC4CN(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 18 ARD-1093 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN1CCN(CC1)CC2CCNCC2 O=C([R1])N1CCN(CC1)CC2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(CC2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24/80/>95 66.33333333333333 0 linker/linker_1337.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2395 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)CC4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 19 ARD-1120 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN1CCN(CC1)C2CCNCC2 O=C([R1])N1CCN(CC1)C2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(C2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24/74/95 64.33333333333333 0 linker/linker_1336.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2396 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=C2C=CC(N3CCN(CC3)C4CCN(C(C5=CC=C(C=C5)N6CCC7(CC6)CN(CC7)C8=CC(Cl)=C(C=C8)C#N)=O)CC4)=C1)N(C2=O)C9C(NC(CC9)=O)=O N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC(N6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 20 ARD-1152 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN1CCC(CC1)N2CCNCC2 O=C([R1])N1CCC(CC1)N2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCC(N2CCNCC2)CC1 [R1]C(=O)N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 37/20/>95 50.66666666666666 0 linker/linker_2446.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2397 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N5CCCN(CC5)C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)CC4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-1,4-diazepane-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 21 ARD-1137 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(CC1)CCCN1C2CCNCC2 O=C([R1])N(CC1)CCCN1C2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCCN(C2CCNCC2)CC1 [R1]C(=O)N1CCCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45/80/92 72.33333333333333 1 linker/linker_2447.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2398 P10275 Androgen receptor AR DHTR NR3C4 O=C(C1=C2C=CC(N3CCC(CC3)N4CCCN(C(C5=CC=C(C=C5)N6CCC7(CC6)CN(CC7)C8=CC(Cl)=C(C=C8)C#N)=O)CCC4)=C1)N(C2=O)C9C(NC(CC9)=O)=O N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CCC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[5-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-1,5-diazocane-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 22 ARD-1119 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(CCC1)CCCN1C2CCNCC2 O=C([R1])N(CCC1)CCCN1C2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCCN(C2CCNCC2)CCC1 [R1]C(=O)N1CCCN(CCC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/54/54 37.66666666666666 0 linker/linker_2448.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2399 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N5CC6CN(CC(C6)C5)C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)CC9)CC8)C=C7)=O)CC4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6CC(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[7-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-3,7-diazabicyclo[3.3.1]nonane-3-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 23 ARD-1115 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(CC(C1)C2)CC2CN1C3CCNCC3 O=C([R1])N(CC(C1)C2)CC2CN1C3CCN([R2])CC3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CC2CC(C1)CN(C1CCNCC1)C2 [R1]C(=O)N1CC2CC(C1)CN(C2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 23/80/90 64.33333333333333 0 linker/linker_2449.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2400 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N5CC6(C5)CN(C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)CC9)CC8)C=C7)=O)C6)CC4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[6-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 24 ARD-1138 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(C1)CC1(C2)CN2C3CCNCC3 O=C([R1])N(C1)CC1(C2)CN2C3CCN([R2])CC3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CC2(C1)CN(C1CCNCC1)C2 [R1]C(=O)N1CC2(C1)CN(C2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5/46/73 41.333333333333336 0 linker/linker_2450.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2401 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N(C5)CC65CCN(C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)CC9)CC8)C=C7)=O)C6)CC4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCC6(C5)CN(C5CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC5)C6)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 25 ARD-1118 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(C1)CCC21CN(C2)C3CCNCC3 O=C([R1])N(C1)CCC21CN(C2)C3CCN([R2])CC3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCC2(C1)CN(C1CCNCC1)C2 [R1]C(=O)N1CCC2(C1)CN(C2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20/60/82 54.0 0 linker/linker_2451.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2402 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC(C4)CN(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 26 ARD-1149 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN1CCN(CC1)CC2CNC2 O=C([R1])N1CCN(CC1)CC2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(CC2CNC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30/81/85 65.33333333333333 0 linker/linker_1335.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2403 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC(N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)C4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCN(C6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 27 ARD-1140 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78/>95/>95 89.33333333333333 1 linker/linker_1334.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2404 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC(N5CCCN(CC5)C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)C4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CCCN(C6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-1,4-diazepane-1-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 28 ARD-2007 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(CC1)CCCN1C2CNC2 O=C([R1])N(CC1)CCCN1C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CCCN(C2CNC2)CC1 [R1]C(=O)N1CCCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39/70/87 65.33333333333333 0 linker/linker_2454.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2405 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC(N5CC6(C5)CN(C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)CC9)CC8)C=C7)=O)C6)C4)=C3 N#CC1=CC=C(N2CCC3(CCN(C4=CC=C(C(=O)N5CC6(C5)CN(C5CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C5)C6)C=C4)CC3)C2)C=C1Cl 2-chloro-4-[8-[4-[6-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]phenyl]-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 29 ARD-1184 ClC1=C(C=CC(N2CC3(CCN(CC3)C4=CC=C([R1])C=C4)CC2)=C1)C#N O=CN(C1)CC1(C2)CN2C3CNC3 O=C([R1])N(C1)CC1(C2)CN2C3CN([R2])C3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN(C3)C4=CC(=C(C=C4)C#N)Cl O=CN1CC2(C1)CN(C1CNC1)C2 [R1]C(=O)N1CC2(C1)CN(C2)C3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22/62/81 55.0 0 linker/linker_2455.sdf warhead/warhead_2444.sdf e3_ligand/e3_ligand_616.sdf 2406 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 30 ARD-2051 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6/0.6 10/13 >95/>95/>95 0.6 95.0 11.5 1 linker/linker_1334.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2407 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@H](C)C8)CC7)C=C6)=O)=C3 C[C@@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3R)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 31 ARD-2052 ClC(C=C1N([C@@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 66/93/>95 84.66666666666667 1 linker/linker_1334.sdf warhead/warhead_2457.sdf e3_ligand/e3_ligand_616.sdf 2408 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8([C@H](C)N(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)=C3 C[C@@H]1N(C2=CC=C(C#N)C(Cl)=C2)CCC12CCN(C1=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C1)CC2 2-chloro-4-[(1S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-1-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 32 ARD-2061 [R1]C1=CC=C(C=C1)N2CCC3(CC2)[C@@H](N(CC3)C4=CC(Cl)=C(C=C4)C#N)C O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN([C@H]3C)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 84/>95/>95 91.33333333333331 1 linker/linker_1334.sdf warhead/warhead_2458.sdf e3_ligand/e3_ligand_616.sdf 2409 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8([C@@H](C)N(C9=CC(Cl)=C(C#N)C=C9)CC8)CC7)C=C6)=O)=C3 C[C@H]1N(C2=CC=C(C#N)C(Cl)=C2)CCC12CCN(C1=CC=C(C(=O)N3CCN(C4CN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)C4)CC3)C=C1)CC2 2-chloro-4-[(1R)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-1-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 33 ARD-2062 C[C@@H](N(CC1)C2=CC(Cl)=C(C=C2)C#N)C1(CC3)CCN3C4=CC=C([R1])C=C4 O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)CCN([C@@H]3C)C4=CC(=C(C=C4)C#N)Cl O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 46/68/91 68.33333333333333 0 linker/linker_1334.sdf warhead/warhead_2459.sdf e3_ligand/e3_ligand_616.sdf 2410 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(C(F)(F)F)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3)=O)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(C(F)(F)F)=C1 4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-(trifluoromethyl)benzonitrile 34 ARD-2075 FC(F)(F)C(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)C(F)(F)F)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1334.sdf warhead/warhead_2460.sdf e3_ligand/e3_ligand_616.sdf 2411 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(C(F)F)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3)=O)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(C(F)F)=C1 2-(difluoromethyl)-4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 35 ARD-2076 FC(F)C(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)C(F)F)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1334.sdf warhead/warhead_2461.sdf e3_ligand/e3_ligand_616.sdf 2412 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(F)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3)=O)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(F)=C1 4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-fluorobenzonitrile 36 ARD-2094 FC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)F)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1334.sdf warhead/warhead_2462.sdf e3_ligand/e3_ligand_616.sdf 2413 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(C(F)(F)F)=C(C#N)N=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CN=C(C#N)C(C(F)(F)F)=C1 5-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile 37 ARD-2065 FC(F)(F)C(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(N=C1)C#N O=CN1CCN(CC1)C2CNC2 O=C([R1])N1CCN(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(N=C4)C#N)C(F)(F)F)C O=CN1CCN(C2CNC2)CC1 [R1]C(=O)N1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1334.sdf warhead/warhead_2463.sdf e3_ligand/e3_ligand_616.sdf 2414 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(CC4)CCC4CN(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 38 ARD-2509 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)CC2CCNCC2 O=C([R1])N1CCN(CC1)CC2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCN(CC2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1337.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2415 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCC(N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)CC4)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 39 ARD-1669 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)C2CCNCC2 O=C([R1])N1CCN(CC1)C2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCN(C2CCNCC2)CC1 [R1]C(=O)N1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1336.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2416 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(CC4)CCN4CC(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 40 ARD-7001 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCC(CC1)CN2CCNCC2 O=C([R1])N1CCC(CC1)CN2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCC(CN2CCNCC2)CC1 [R1]C(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 81/>95/>95 90.33333333333331 1 linker/linker_2466.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2417 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCN(C(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)CC4)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 41 ARD-7002 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCC(CC1)N2CCNCC2 O=C([R1])N1CCC(CC1)N2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCC(N2CCNCC2)CC1 [R1]C(=O)N1CCC(CC1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78/>95/>95 89.33333333333333 1 linker/linker_2446.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2418 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC5(CN(C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)C5)C4)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC5(C4)CN(C4=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C4)C5)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2,6-diazaspiro[3.3]heptane-2-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 42 ARD-2063 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN(C1)CC21CNC2 O=C([R1])N(C1)CC21CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CC2(CNC2)C1 [R1]C(=O)N1CC2(C1)CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 79/>95/>95 89.66666666666667 1 linker/linker_2468.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2419 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CC(C4)CN(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 43 ARD-2378 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCN(CC1)CC2CNC2 O=C([R1])N1CCN(CC1)CC2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCN(CC2CNC2)CC1 [R1]C(=O)N1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_1335.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2420 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(C[C@@H]5C6)[C@@H]6CN5C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)[C@@H](C)C9)CC8)C=C7)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4C[C@@H]5C[C@H]4CN5C4CN(C5=CC6=C(C=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[(1S,4S)-5-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 44 ARD-2070 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1C[C@H]2N(C[C@@H]1C2)C3CNC3 O=C([R1])N1C[C@H]2N(C[C@@H]1C2)C3CN([R2])C3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1C[C@@H]2C[C@H]1CN2C1CNC1 [R1]C(=O)N1C[C@@H]2C[C@H]1CN2C3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_2470.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2421 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N(C4)CC4N(C[C@H]5C6)[C@H]6CN5C(C7=CC=C(N8CCC9(CN(C%10=CC(Cl)=C(C#N)C=C%10)[C@@H](C)C9)CC8)C=C7)=O)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4C[C@H]5C[C@@H]4CN5C4CN(C5=CC6=C(C=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[(1R,4R)-5-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 45 ARD-2071 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1C[C@@H]2N(C[C@H]1C2)C3CNC3 O=C([R1])N1C[C@@H]2N(C[C@H]1C2)C3CN([R2])C3 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1C[C@H]2C[C@@H]1CN2C1CNC1 [R1]C(=O)N1C[C@H]2C[C@@H]1CN2C3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 84/93/95 90.66666666666669 1 linker/linker_2471.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2422 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4C(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3)=O)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCC(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 46 ARD-2090 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN1CCC(CC1)C2CNC2 O=C([R1])N1CCC(CC1)C2CN([R2])C2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CCC(C2CNC2)CC1 [R1]C(=O)N1CCC(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12/64/92 56.0 0 linker/linker_2472.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2423 P10275 Androgen receptor AR DHTR NR3C4 O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC(N(C4)CC4(C#N)N(CC5)CCN5C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)=C3)=O)=O C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CCN(C5(C#N)CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)CC4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 3-[4-[4-[(3S)-2-(3-chloro-4-cyanophenyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonitrile 47 ARD-2091 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N N#CC1(N2CCN(C=O)CC2)CNC1 N#CC1(N2CCN(C([R1])=O)CC2)CN([R2])C1 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C N#CC1(N2CCN(C=O)CC2)CNC1 [R1]C(=O)N1CCN(CC1)C2(CN(C2)[R2])C#N [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 81/93/88 87.33333333333333 1 linker/linker_2473.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2424 P10275 Androgen receptor AR DHTR NR3C4 O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C=CC(N4CCN(C5CN(C(C6=CC=C(N7CCC8(CN(C9=CC(Cl)=C(C#N)C=C9)[C@@H](C)C8)CC7)C=C6)=O)C5)CC4)=C3 C[C@H]1CC2(CCN(C3=CC=C(C(=O)N4CC(N5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)CC2)CN1C1=CC=C(C#N)C(Cl)=C1 2-chloro-4-[(3S)-8-[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]azetidine-1-carbonyl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]benzonitrile 48 ARD-2067 ClC(C=C1N([C@H](C2)C)CC2(CC3)CCN3C4=CC=C([R1])C=C4)=C(C=C1)C#N O=CN(C1)CC1N2CCNCC2 O=C([R1])N(C1)CC1N2CCN([R2])CC2 O=C(NC1=O)C(CC1)N(C2=O)C(C3=C2C=C([R2])C=C3)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N2CCC3(CC2)C[C@@H](N(C3)C4=CC(=C(C=C4)C#N)Cl)C O=CN1CC(N2CCNCC2)C1 [R1]C(=O)N1CC(C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >90/>95/>95 93.33333333333331 1 linker/linker_2474.sdf warhead/warhead_2456.sdf e3_ligand/e3_ligand_616.sdf 2425 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethyl]indazole-3-carboxamide 3a A-01 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCN O=C(CO[R2])NCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCNC(=O)CO [R1]NCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31170/63940/53020 49376.66666666666 0 linker/linker_2475.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2426 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]indazole-3-carboxamide 3b A-02 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCCCN O=C(CO[R2])NCCCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCNC(=O)CO [R1]NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32580/40420/43980 38993.333333333336 0 linker/linker_280.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2427 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]indazole-3-carboxamide 3c A-03 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCCCCCN O=C(CO[R2])NCCCCCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCCNC(=O)CO [R1]NCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24690/35770/38580 33013.333333333336 0 linker/linker_2477.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2428 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCCCCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octyl]indazole-3-carboxamide 3d A-04 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCCCCCCCN O=C(CO[R2])NCCCCCCCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCCCCNC(=O)CO [R1]NCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24180/35860/>10000 23346.666666666668 0 linker/linker_308.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2429 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCOCCOCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethyl]indazole-3-carboxamide 3e A-05 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCOCCOCCN O=C(CO[R2])NCCOCCOCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCOCCOCCNC(=O)CO [R1]NCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40090/43290/39110 40830.0 0 linker/linker_1184.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2430 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(NCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)C=CC=C31)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCNC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12 1-[(2,4-dichlorophenyl)methyl]-N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]indazole-3-carboxamide 3f A-06 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 O=C(CO)NCCCN O=C(CO[R2])NCCCN[R1] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCNC(=O)CO [R1]NCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28880/43740/46120 39580.0 0 linker/linker_2480.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2431 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCC(N4CCN(CC4)C(C5=NN(CC6=C(Cl)C=C(Cl)C=C6)C7=C5C=CC=C7)=O)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)N4CCN(C(=O)C5=NN(CC6=CC=C(Cl)C=C6Cl)C6=CC=CC=C56)CC4)=C3C2=O)C(=O)N1 4-[2-[4-[1-[(2,4-dichlorophenyl)methyl]indazole-3-carbonyl]piperazin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 3g A-07 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 OCC(N1CCNCC1)=O O=C(N1CCN([R1])CC1)CO[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl O=C(CO)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 26310/40920/40150 35793.333333333336 0 linker/linker_2481.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2432 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(OCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]indazole-3-carboxamide 4a B-01 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 OCCN [R1]NCCO[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCO [R1]NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 71790/30280/37770 46613.333333333336 0 linker/linker_2482.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2433 P52789 Hexokinase 2 HK2 Hexokinase-B O=C1N(C2C(NC(CC2)=O)=O)C(C3=C(OCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)C=CC=C31)=O O=C1CCC(N2C(=O)C3=CC=CC(OCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]indazole-3-carboxamide 4b B-02 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 OCCCN [R1]NCCCO[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCO [R1]NCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31570/29810/26710 29363.33333333333 0 linker/linker_2483.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2434 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]indazole-3-carboxamide 5a C-01 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCN [R1]NCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCN [R1]NCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 34370/34930/49160 39486.66666666666 0 linker/linker_2484.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2435 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]indazole-3-carboxamide 5b C-02 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCN [R1]NCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCN [R1]NCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2560/790 5080/34070/31530 1675.0 23560.0 0 linker/linker_2485.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2436 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]indazole-3-carboxamide 5c C-03 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCCCN [R1]NCCCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCCN [R1]NCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36560/29370/49850 38593.333333333336 0 linker/linker_2486.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2437 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCCCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]indazole-3-carboxamide 5d C-04 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCCCCCN [R1]NCCCCCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCCCCN [R1]NCCCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17210/29180/53040 33143.333333333336 0 linker/linker_2487.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2438 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCOCCOCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]indazole-3-carboxamide 5e C-05 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCOCCOCCN [R1]NCCOCCOCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCOCCOCCN [R1]NCCOCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22850/30090/37780 30240.0 0 linker/linker_2488.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2439 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCNC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCNC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 1-[(2,4-dichlorophenyl)methyl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]indazole-3-carboxamide 5f C-06 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCN [R1]NCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCN [R1]NCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 34650/12210/25430 24096.666666666668 0 linker/linker_2489.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2440 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7a D-01 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCO [R1]OCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCO [R1]OCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42320/36680/45610 41536.66666666666 0 linker/linker_2483.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2441 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7b D-02 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCO [R1]OCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCO [R1]OCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32240/70270/46320 49610.0 0 linker/linker_2491.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2442 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7c D-03 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCCO [R1]OCCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCO [R1]OCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 34160/30790/38260 34403.333333333336 0 linker/linker_2492.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2443 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCCCCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCCCCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7d D-04 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCCCCCO [R1]OCCCCCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCCCCCO [R1]OCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28290/33890/39520 33900.0 0 linker/linker_2493.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2444 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCOCCOCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7e D-05 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCOCCOCCO [R1]OCCOCCOCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCOCCOCCO [R1]OCCOCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 34480/27110/37340 32976.666666666664 0 linker/linker_2494.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2445 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCOCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7f D-06 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCOCCO [R1]OCCOCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCOCCO [R1]OCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 23460/23880/45310 30883.33333333333 0 linker/linker_2495.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2446 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NCCOCCOCCOCCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCOC(=O)C4=NN(CC5=CC=C(Cl)C=C5Cl)C5=CC=CC=C45)=C3C2=O)C(=O)N1 2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7g D-07 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NCCOCCOCCOCCO [R1]OCCOCCOCCOCCN[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl NCCOCCOCCOCCO [R1]OCCOCCOCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 27560/28200/>10000 21920.0 0 linker/linker_2496.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2447 P52789 Hexokinase 2 HK2 Hexokinase-B O=C(CC1)NC(C1N(C2=O)C(C3=C2C=CC=C3NC(C)CCOC(C4=NN(CC5=C(Cl)C=C(Cl)C=C5)C6=C4C=CC=C6)=O)=O)=O CC(CCOC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2=CC=CC=C12)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl 1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate 7h D-08 ClC(C=C1)=CC(Cl)=C1CN2N=C(C([R1])=O)C3=CC=CC=C32 NC(CCO)C CC(CCO[R1])N[R2] O=C(N1C2CCC(NC2=O)=O)C3=C([R2])C=CC=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=NN(C2=CC=CC=C21)CC3=C(C=C(C=C3)Cl)Cl CC(N)CCO [R1]OCCC(C)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 33060/26890/48100 36016.666666666664 0 linker/linker_2497.sdf warhead/warhead_2475.sdf e3_ligand/e3_ligand_16.sdf 2448 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]butanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C1 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCNC=O O=C([R1])NCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCNC=O [R1]C(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. 33.7/1050 541.85 1 linker/linker_688.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2449 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]pentanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C2 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCNC=O O=C([R1])NCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCNC=O [R1]C(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 189.5 3.0/210 189.5 106.5 1 linker/linker_1311.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2450 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]hexanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C3 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCNC=O O=C([R1])NCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCNC=O [R1]C(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 293.5 2.4/450 293.5 226.2 1 linker/linker_104.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2451 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[7-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]heptanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C4 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCCNC=O O=C([R1])NCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCNC=O [R1]C(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 56 5.9/70 56.0 37.95 1 linker/linker_1313.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2452 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C5 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCCCNC=O O=C([R1])NCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCCNC=O [R1]C(=O)NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.7 30.6/300 31.7 165.3 1 linker/linker_2502.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2453 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[9-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]nonanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C6 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCCCCNC=O O=C([R1])NCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCCCNC=O [R1]C(=O)NCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54.4 37.9/900 54.4 468.95 1 linker/linker_2503.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2454 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[10-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]decanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C7 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCCCCCNC=O O=C([R1])NCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >500 69.2/1510 500.0 789.6 1 linker/linker_59.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2455 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCNC(C2=CC=C(C(N3CCC(CCCCNC(/C=C/C4=CC=CN=C4)=O)CC3)=O)C=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)C3=CC=C(C(=O)N4CCC(CCCCNC(=O)/C=C/C5=CC=CN=C5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[11-[[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]amino]undecanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C8 O=C(C1=CC=C([R1])C=C1)N2CCC(CCCCNC(/C=C/C3=CC=CN=C3)=O)CC2 CCCCCCCCCCNC=O O=C([R1])NCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCCCCCNC=O [R1]C(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 111.2 41.1/2230 111.2 1135.55 1 linker/linker_60.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_23.sdf 2456 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCOC(C=C(C=C4N=N5)C(CC(O)=O)C6=CC=C(C(CN(S(=O)(C7=CC=CC=C7O8)=O)C[C@H]8C)=C6)C)=C4N5C)C2=O)=O CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O 3-[7-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octoxy]-1-methylbenzotriazol-5-yl]-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid 10a SD2267 CN1C2=C(N=N1)C=C([C@H](C3=CC(CN4C[C@@H](C)OC5=C(S4(=O)=O)C=CC=C5)=C(C)C=C3)CC(O)=O)C=C2O[R1] CCCCCCCC [R1]CCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC(=CC2=C1N(N=N2)C)[C@@H](CC(=O)O)C3=CC(=C(C=C3)C)CN4C[C@H](OC5=CC=CC=C5S4(=O)=O)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8.1/16.8 64 12.45 64.0 1 linker/linker_33.sdf warhead/warhead_2506.sdf e3_ligand/e3_ligand_7.sdf 2457 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C(O)CC(C1=CC(OCCCCCCCCNC2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3=O)=O)C=C2)=C(N(C)N=N5)C5=C1)C6=CC=C(C)C(CN7S(C8=CC=CC=C8O[C@H](C)C7)(=O)=O)=C6 CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O 3-[7-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octoxy]-1-methylbenzotriazol-5-yl]-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid 10b SD2268 CN1C2=C(N=N1)C=C([C@H](C3=CC(CN4C[C@@H](C)OC5=C(S4(=O)=O)C=CC=C5)=C(C)C=C3)CC(O)=O)C=C2O[R1] CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]OC1=CC(=CC2=C1N(N=N2)C)[C@@H](CC(=O)O)C3=CC(=C(C=C3)C)CN4C[C@H](OC5=CC=CC=C5S4(=O)=O)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7 7.0 0 linker/linker_33.sdf warhead/warhead_2506.sdf e3_ligand/e3_ligand_250.sdf 2458 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCOC(C=C(C=C4N=N5)C(CC(O)=O)C6=CC=C(C(CN(S(=O)(C7=CC=CC=C7O8)=O)C[C@H]8C)=C6)C)=C4N5C)C2=O)=O CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O 3-[7-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]-1-methylbenzotriazol-5-yl]-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid 10c SD2269 CN1C2=C(N=N1)C=C([C@H](C3=CC(CN4C[C@@H](C)OC5=C(S4(=O)=O)C=CC=C5)=C(C)C=C3)CC(O)=O)C=C2O[R1] CCCC [R1]CCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC(=CC2=C1N(N=N2)C)[C@@H](CC(=O)O)C3=CC(=C(C=C3)C)CN4C[C@H](OC5=CC=CC=C5S4(=O)=O)C CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_7.sdf warhead/warhead_2506.sdf e3_ligand/e3_ligand_7.sdf 2459 P37840 Alpha-synuclein Alpha-syn SNCA NACP BrC1=CC=CC(C2=NNC(C3=CC=C(NCCOCCOCCOCCNC([C@H](CC(C)C)NC([C@H]([C@@H](CC4=CC=CC=C4)N)O)=O)=O)C=C3)=C2)=C1 CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)NCCOCCOCCOCCNC1=CC=C(C2=CC(C3=CC=CC(Br)=C3)=N[NH]2)C=C1 (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[2-[2-[2-[2-[4-[3-(3-bromophenyl)-1H-pyrazol-5-yl]anilino]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide 5 BrC1=CC=CC(C2=NNC(C3=CC=C(N[R1])C=C3)=C2)=C1 NCCOCCOCCOCC [R2]NCCOCCOCCOCC[R1] O=C([C@H]([C@@H](CC1=CC=CC=C1)N)O)N[C@@H](CC(C)C)C([R2])=O cIAP1 Q13490 [R1]NC1=CC=C(C=C1)C2=CC(=NN2)C3=CC(=CC=C3)Br CCOCCOCCOCCN [R1]CCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 5049 5049.0 0 linker/linker_1182.sdf warhead/warhead_2509.sdf e3_ligand/e3_ligand_455.sdf 2460 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP O=C(C(C=CC1=C2Cl)=CC1=NC3=C2CCCC3)NCCCC(CC4=CC=CC=C4)C(N5CCC(O)(CN6C=NC7=C(C=CC(NC(CCN8CCN(CCCCCC9=CC=CC%10=C9CN(C(CC%11)C(NC%11=O)=O)C%10=O)CC8)=O)=C7)C6=O)CC5)=O O=C1CCC(N2CC3=C(CCCCCN4CCN(CCC(=O)NC5=CC=C6C(=O)N(CC7(O)CCN(C(=O)C(CCCNC(=O)C8=CC=C9C(Cl)=C%10CCCCC%10=NC9=C8)CC8=CC=CC=C8)CC7)C=NC6=C5)CC4)C=CC=C3C2=O)C(=O)N1 N-[4-benzyl-5-[4-[[7-[3-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]piperazin-1-yl]propanoylamino]-4-oxoquinazolin-3-yl]methyl]-4-hydroxypiperidin-1-yl]-5-oxopentyl]-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide PU7-1 PU7-1 [R1]N1CCN(CCC(NC2=CC3=C(C(N(CC4(O)CCN(C(C(CC5=CC=CC=C5)CCCNC(C6=CC7=C(C(Cl)=C8CCCCC8=N7)C=C6)=O)=O)CC4)C=N3)=O)C=C2)=O)CC1 CCCCC [R1]CCCCC[R2] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]N1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C(CCCNC(=O)C5=CC6=C(C=C5)C(=C7CCCCC7=N6)Cl)CC8=CC=CC=C8)O CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4.3 4.3 1 linker/linker_2.sdf warhead/warhead_2510.sdf e3_ligand/e3_ligand_18.sdf 2461 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CC(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 3 BD-7102 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CC1CNC1 [R1]CC1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC1CNC1 [R1]CC1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 0.3 1 linker/linker_1956.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2462 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CC(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 3 BD-7102 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CC1CNC1 [R1]CC1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC1CNC1 [R1]CC1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_1956.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2463 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(CC(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(CC5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 3 BD-7102 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CC1CNC1 [R1]CC1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CC1CNC1 [R1]CC1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 0.1 1 linker/linker_1956.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2464 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(CC6)CCN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 4 BD-7163 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCCCC1 [R1]C1CCN([R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CCNCC1 [R1]C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 1 linker/linker_326.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2465 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(CC6)CCN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 4 BD-7163 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCCCC1 [R1]C1CCN([R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CCNCC1 [R1]C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100 100.0 1 linker/linker_326.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2466 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(CC6)CCN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=C3CC3=CC=CC=C3)N12 4-[4-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 4 BD-7163 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCCCC1 [R1]C1CCN([R2])CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CCNCC1 [R1]C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.4 0.4 1 linker/linker_326.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2467 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 17/25/4.9 1000.0 15.633333333333333 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2468 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 6.4/15.9/59.9 1000.0 27.4 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2469 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000 37.8/3.3 1000.0 20.55 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2470 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 1000.0 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2471 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 1000.0 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2472 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000 1000.0 0 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2473 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9/0.2/3.6 1.5666666666666669 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2474 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13/1.0/5.6 6.533333333333334 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2475 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)CN6C7=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=CC=C7)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 5 BD-7148 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 N1CCC1 [R1]C1CN([R2])C1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.5/0.2 1.85 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2476 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C6CN(C7=CC=C8C(C(N(C9CCC(NC9=O)=O)C8=O)=O)=C7)C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12 5-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 BD-7162 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 C1CCN1 [R1]C1CN([R2])C1 O=C(C1=CC([R2])=CC=C21)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 0.2 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_616.sdf 2477 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C6CN(C7=CC=C8C(C(N(C9CCC(NC9=O)=O)C8=O)=O)=C7)C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12 5-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 BD-7162 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 C1CCN1 [R1]C1CN([R2])C1 O=C(C1=CC([R2])=CC=C21)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.7 0.7 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_616.sdf 2478 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C6CN(C7=CC=C8C(C(N(C9CCC(NC9=O)=O)C8=O)=O)=C7)C6)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)N=C4)=C3CC3=CC=CC=C3)N12 5-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 BD-7162 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 C1CCN1 [R1]C1CN([R2])C1 O=C(C1=CC([R2])=CC=C21)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 C1CNC1 [R1]C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 0.3 1 linker/linker_2120.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_616.sdf 2479 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 11/69/5.1 1000.0 28.366666666666664 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2480 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 4.6/17.6/80.9 1000.0 34.36666666666667 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2481 P25440 Bromodomain-containing protein 2 BRD2 RING3 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 38.4/3.8 1000.0 21.1 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2482 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 1000.0 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2483 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 1000.0 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2484 Q15059 Bromodomain-containing protein 3 BRD3 RING3L CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >1000/>1000/>1000 1000.0 0 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2485 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.2/4.7/1.5 2.466666666666667 1 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2486 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5/0.7/0.5 0.5666666666666667 1 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2487 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC1=NN=C(COC2)N1C3=C2C(CC4=CC=CC=C4)=C(C#CC5=CN(C(C6)(CCN7CCN(C)CC7)CN6C8=C(C(N(C9CCC(NC9=O)=O)C%10=O)=O)C%10=CC=C8)N=C5)S3 CC1=NN=C2COCC3=C(SC(C#CC4=CN(C5(CCN6CCN(C)CC6)CN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)N=C4)=C3CC3=CC=CC=C3)N12 4-[3-[4-[2-(5-benzyl-13-methyl-8-oxa-3-thia-1,11,12-triazatricyclo[8.3.0.0^2,6]trideca-2(6),4,10,12-tetraen-4-yl)ethynyl]pyrazol-1-yl]-3-[2-(4-methylpiperazin-1-yl)ethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 8 BD-9136 CC1=NN=C2COCC3=C(SC(C#CC4=CN(N=C4)[R1])=C3CC5=CC=CC=C5)N12 CN1CCN(CCC2CNC2)CC1 CN1CCN(CCC2([R1])CN([R2])C2)CC1 O=C1N(C2C(NC(CC2)=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]N1C=C(C=N1)C#CC2=C(C3=C(S2)N4C(=NN=C4COC3)C)CC5=CC=CC=C5 CN1CCN(CCC2CNC2)CC1 [R1]C1(CN(C1)[R2])CCN2CCN(CC2)C [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6/<0.1/0.2 0.3 1 linker/linker_2529.sdf warhead/warhead_134.sdf e3_ligand/e3_ligand_16.sdf 2488 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(COC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP1 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 OCC=O O=C([R1])CO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCO [R1]C(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25.3/28.5/43.9 32.56666666666666 0 linker/linker_1673.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2489 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobutoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP2 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCO O=C([R1])CCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2150 44.6/53.1/65.8 54.5 2150.0 0 linker/linker_824.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2490 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[6-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-6-oxohexoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP3 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCO O=C([R1])CCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31.3/46.7/57.7 45.23333333333333 0 linker/linker_826.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2491 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[8-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-8-oxooctoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP4 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCO O=C([R1])CCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCO [R1]C(=O)CCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30.2/38.9/50.3 39.8 0 linker/linker_2131.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2492 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[10-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-10-oxodecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP5 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCCCO O=C([R1])CCCCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCCCO [R1]C(=O)CCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.81/10.3/23.6 12.236666666666666 0 linker/linker_630.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2493 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[12-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-12-oxododecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP6 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCCCCCO O=C([R1])CCCCCCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCCCCCO [R1]C(=O)CCCCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.29/13.2/21.7 13.063333333333333 0 linker/linker_2543.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2494 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[14-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-14-oxotetradecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP7 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCCCCCCCO O=C([R1])CCCCCCCCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCCCCCCCO [R1]C(=O)CCCCCCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11.6/22.8/35.9 23.433333333333334 0 linker/linker_2544.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2495 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCCCCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[16-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-16-oxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP8 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCCCCCCCCCO O=C([R1])CCCCCCCCCCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCCCCCCCCCO [R1]C(=O)CCCCCCCCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24.1/37.8/43.5 35.13333333333333 0 linker/linker_2545.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2496 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCCCCCCCCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCCCCCCCCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[18-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-18-oxooctadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP9 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCCCCCCCCCCCCO O=C([R1])CCCCCCCCCCCCCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCCCCCCCCCCCCO [R1]C(=O)CCCCCCCCCCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.2/46.8/58.1 41.7 0 linker/linker_2546.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2497 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[5-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-5-oxopentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP10 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCO O=C([R1])CCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCO [R1]C(=O)CCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 260 44.1/56.8/63.6 54.833333333333336 260.0 0 linker/linker_825.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2498 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCCCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCCCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[7-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-7-oxoheptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP11 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCCCCCO O=C([R1])CCCCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCCCCCO [R1]C(=O)CCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 220 31.7/55.3/68.9 51.96666666666667 220.0 0 linker/linker_827.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2499 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(COCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[2-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP12 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCOCCO O=C([R1])COCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCOCCO [R1]C(=O)COCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.13/5.34/28.3 11.923333333333334 0 linker/linker_2549.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2500 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCOCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[2-[3-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP13 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCOCCO O=C([R1])CCOCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCOCCO [R1]C(=O)CCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.68/13.4/19.7 12.926666666666668 0 linker/linker_2550.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2501 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(COCCOCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)COCCOCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[2-[2-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP14 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCOCCOCCO O=C([R1])COCCOCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCOCCOCCO [R1]C(=O)COCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24.6/30.3/38.5 31.133333333333336 0 linker/linker_822.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2502 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CCOCCOCCCOC6=CC(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)=C8C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CCOCCOCCCOC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)CC2)=N[NH]1 5-[3-[2-[3-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-oxopropoxy]ethoxy]propoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP15 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCCOCCOCCCO O=C([R1])CCOCCOCCCO[R2] O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCCOCCOCCCO [R1]C(=O)CCOCCOCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29.1/46.4/52.2 42.56666666666667 0 linker/linker_2552.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2503 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(CC6=CC=C(C7CCN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)CC7)C=C6)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3=CC=C(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1 5-[4-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP16 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 CC1=CC=C(C=C1)C2CCNCC2 [R1]CC1=CC=C(C=C1)C2CCN([R2])CC2 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F CC1=CC=C(C2CCNCC2)C=C1 [R1]CC1=CC=C(C=C1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.05/3.11/7.32 3.826666666666666 0 linker/linker_2553.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2504 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(CC6CCN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1 5-[4-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP17 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.16/8.64/19.2 10.0 0 linker/linker_1946.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2505 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(CC6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP18 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 CC1CNCC1 [R1]CC1CN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F CC1CCNC1 [R1]CC1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.54/8.91/26.1 12.85 0 linker/linker_2555.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2506 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(CC6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)C6)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP19 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 CC1CNC1 [R1]CC1CN([R2])C1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F CC1CNC1 [R1]CC1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.33/31.1/42.2 25.21 0 linker/linker_1956.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2507 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(CC6CC7(CN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)C7)C6)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(CC3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1 5-[6-[[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP20 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 CC1CC2(C1)CNC2 [R1]CC1CC2(C1)CN([R2])C2 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F CC1CC2(CNC2)C1 [R1]CC1CC2(C1)CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.12/6.07 5.095000000000001 0 linker/linker_2557.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2508 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CC6=CC=C(N7CCN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)CC7)C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3=CC=C(N4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1 5-[4-[4-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]phenyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP21 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCC1=CC=C(C=C1)N2CCNCC2 O=C([R1])CC1=CC=C(C=C1)N2CCN([R2])CC2 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCC1=CC=C(N2CCNCC2)C=C1 [R1]C(=O)CC1=CC=C(C=C1)N2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6980 40.1/57.6 48.85 6980.0 0 linker/linker_2558.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2509 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CC6CCN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1 5-[4-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP22 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCC1CCNCC1 O=C([R1])CC1CCN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCC1CCNCC1 [R1]C(=O)CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2460 46.2/51.0 48.6 2460.0 0 linker/linker_2559.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2510 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CC6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP23 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCC1CNCC1 O=C([R1])CC1CN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCC1CCNC1 [R1]C(=O)CC1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39.2/48.9 44.05 0 linker/linker_2560.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2511 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CC6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP24 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCC1CNC1 O=C([R1])CC1CN([R2])C1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCC1CNC1 [R1]C(=O)CC1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 510 47.7/70.4 59.05 510.0 0 linker/linker_2561.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2512 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(CC6CC7(C6)CN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)C7)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)CC3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1 5-[6-[2-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2-oxoethyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP25 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CCC1CC2(CNC2)C1 O=C([R1])CC1CC2(CN([R2])C2)C1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CCC1CC2(CNC2)C1 [R1]C(=O)CC1CC2(C1)CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.84/5.49/24.3 10.543333333333337 0 linker/linker_2562.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2513 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(C6=CC=C(C7CCN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)CC7)C=C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3=CC=C(C4CCN(C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)=N[NH]1 5-[4-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]phenyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP26 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CC1=CC=C(C=C1)C2CCNCC2 O=C([R1])C1=CC=C(C=C1)C2CCN([R2])CC2 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CC1=CC=C(C2CCNCC2)C=C1 [R1]C(=O)C1=CC=C(C=C1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2500 50.5/61.4/69.9 60.6 2500.0 0 linker/linker_2563.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2514 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(C6CCN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)=N[NH]1 5-[4-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP27 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 73 68.3/73.4/83.5 75.06666666666666 73.0 1 linker/linker_2135.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2515 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(C6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)CC6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]pyrrolidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP28 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CC1CNCC1 O=C([R1])C1CN([R2])CC1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CC1CCNC1 [R1]C(=O)C1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 260 36.7/56.1/66.8 53.20000000000001 260.0 0 linker/linker_2565.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2516 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(C6CN(C7=CC8=C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)C=C7)C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)=N[NH]1 5-[3-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP29 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CC1CNC1 O=C([R1])C1CN([R2])C1 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CC1CNC1 [R1]C(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 250 46.3/52.2/73.5 57.333333333333336 250.0 0 linker/linker_949.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2517 O00444 Serine/threonine-protein kinase PLK4 PLK4 SAK STK18 FC1=CC=C(CNC2=NC3=C(C(NC4=NNC(C)=C4)=N2)C=NN3C5CCN(C(C6CC7(CN(C8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)C7)C6)=O)CC5)C(F)=C1 CC1=CC(NC2=NC(NCC3=CC=C(F)C=C3F)=NC3=C2C=NN3C2CCN(C(=O)C3CC4(C3)CN(C3=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C3)C4)CC2)=N[NH]1 5-[6-[4-[6-[(2,4-difluorophenyl)methylamino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-2-azaspiro[3.3]heptan-2-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione SP30 CC1=CC(NC2=C3C(N(C4CCN([R1])CC4)N=C3)=NC(NCC5=CC=C(F)C=C5F)=N2)=NN1 O=CC1CC2(C1)CNC2 O=C([R1])C1CC2(C1)CN([R2])C2 O=C(CC1)NC(C1N2C(C(C=C([R2])C=C3)=C3C2=O)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC(=NC(=C3C=N2)NC4=NNC(=C4)C)NCC5=C(C=C(C=C5)F)F O=CC1CC2(CNC2)C1 [R1]C(=O)C1CC2(C1)CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.28/2.39/4.01 2.2266666666666666 0 linker/linker_2567.sdf warhead/warhead_2538.sdf e3_ligand/e3_ligand_616.sdf 2518 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC(NCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethyl]acetamide A1 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCNC(C)=O O=C(C[R2])NCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCNC(C)=O [R1]CC(=O)NCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 13290/2430/6140 7286.666666666667 0 linker/linker_2568.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2519 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC(NCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[3-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]propyl]acetamide A2 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCNC(C)=O O=C(C[R2])NCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCNC(C)=O [R1]CC(=O)NCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 5490/1540/1720 2916.6666666666665 0 linker/linker_2569.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2520 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC(NCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[4-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]butyl]acetamide A3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCNC(C)=O O=C(C[R2])NCCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCNC(C)=O [R1]CC(=O)NCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 6070/1150/1580 2933.333333333333 0 linker/linker_2570.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2521 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC(NCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[6-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]hexyl]acetamide A4 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCCCNC(C)=O O=C(C[R2])NCCCCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 6500 1540/850/830 6500.0 1073.3333333333333 0 linker/linker_2571.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2522 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC(NCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[6-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]hexyl]acetamide A4 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCCCNC(C)=O O=C(C[R2])NCCCCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 8000 8000.0 0 linker/linker_2571.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2523 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(N5CCN(CC(NCCOCCNC(COC6=CC(CCCN7C(CCl)=O)=C7C=C6)=O)=O)CC5)C=C4)=NC=C3C(C)=C1C(C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethyl]acetamide A5 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCNC(C)=O O=C(C[R2])NCCOCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCOCCNC(C)=O [R1]CC(=O)NCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 5320/2030/1720 3023.333333333333 0 linker/linker_2008.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2524 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(N5CCN(CC(NCCOCCOCCNC(COC6=CC(CCCN7C(CCl)=O)=C7C=C6)=O)=O)CC5)C=C4)=NC=C3C(C)=C1C(C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide A6 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 8600/6540/7960 7700.0 0 linker/linker_2007.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2525 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C1N(C2CCCC2)C3=NC(NC4=NC=C(N5CCN(CC(NCCOCCOCCOCCNC(COC6=CC(CCCN7C(CCl)=O)=C7C=C6)=O)=O)CC5)C=C4)=NC=C3C(C)=C1C(C)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide A7 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCOCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 12170/24620/4720 13836.666666666666 0 linker/linker_2006.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2526 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(NCCCCCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CN3CCN(C4=CN=C(NC5=NC=C(C(C)=C(C(C)=O)C(N6C7CCCC7)=O)C6=N5)C=C4)CC3 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[8-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]octyl]acetamide A8 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCCCCCNC(C)=O O=C(C[R2])NCCCCCCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 520/160/360 346.6666666666667 1 linker/linker_2576.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2527 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(NCCCCCCCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CN3CCN(C4=CN=C(NC5=NC=C(C(C)=C(C(C)=O)C(N6C7CCCC7)=O)C6=N5)C=C4)CC3 CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[10-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]decyl]acetamide A9 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCCCCCCCNC(C)=O O=C(C[R2])NCCCCCCCCCCNC(C[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1080/270/410 586.6666666666666 1 linker/linker_2577.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2528 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(C)C1=C(C2=CN=C(N=C2N(C1=O)C3CCCC3)NC4=NC=C(C=C4)N5CCN(CC5)CCC(NCCNC(COC(C=C6)=CC7=C6N(CCC7)C(CCl)=O)=O)=O)C CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethyl]propanamide B1 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCNC(CC)=O O=C(C[R2])NCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCNC(C)=O [R1]CCC(=O)NCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 34310/13830/2850 16996.666666666668 0 linker/linker_2578.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2529 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[3-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]propyl]propanamide B2 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCNC(CC)=O O=C(C[R2])NCCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCCNC(C)=O [R1]CCC(=O)NCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 13190/4110/4990 7430.0 0 linker/linker_2579.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2530 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[4-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]butyl]propanamide B3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCNC(CC)=O O=C(C[R2])NCCCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCCCNC(C)=O [R1]CCC(=O)NCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 29500/1500/1320 10773.333333333334 0 linker/linker_2580.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2531 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[6-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]hexyl]propanamide B4 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCCCCNC(CC)=O O=C(C[R2])NCCCCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCCCCNC(C)=O [R1]CCC(=O)NCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 53410/12580/13620 26536.666666666668 0 linker/linker_2581.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2532 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCOCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethyl]propanamide B5 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCNC(CC)=O O=C(C[R2])NCCOCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCOCCNC(C)=O [R1]CCC(=O)NCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl >50000/18330/13450 27260.0 0 linker/linker_2582.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2533 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCOCCOCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCOCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]propanamide B6 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCOCCNC(CC)=O O=C(C[R2])NCCOCCOCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCOCCOCCNC(C)=O [R1]CCC(=O)NCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 9830/8380/5210 7806.666666666667 0 linker/linker_2583.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2534 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CCC(NCCOCCOCCOCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCC(=O)NCCOCCOCCOCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-N-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]propanamide B7 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=C(C)NCCOCCOCCOCCNC(CC)=O O=C(C[R2])NCCOCCOCCOCCNC(CC[R1])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCC(=O)NCCOCCOCCOCCNC(C)=O [R1]CCC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl >50000/8470/2910 20460.0 0 linker/linker_2584.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2535 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)CC4)C=N3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O 6-acetyl-2-[[5-[4-[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]piperazin-1-yl]pyridin-2-yl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one C1 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O CC=O O=C([R1])C[R2] ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC=O [R1]C(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 920/140/370 476.6666666666667 1 linker/linker_521.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2536 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C2 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCNC(C)=O O=C([R1])CNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCC=O [R1]C(=O)CNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1080/200/390 556.6666666666666 1 linker/linker_2586.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2537 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[3-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-3-oxopropyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCNC(C)=O O=C([R1])CCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCC=O [R1]C(=O)CCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1380/240/370 663.3333333333334 1 linker/linker_445.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2538 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[4-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-4-oxobutyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C4 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCNC(C)=O O=C([R1])CCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCC=O [R1]C(=O)CCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1770/310/350 810.0 1 linker/linker_2588.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2539 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[5-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-5-oxopentyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C5 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCNC(C)=O O=C([R1])CCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCC=O [R1]C(=O)CCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1680/540/540 920.0 1 linker/linker_2589.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2540 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[6-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-6-oxohexyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C6 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCCNC(C)=O O=C([R1])CCCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCC=O [R1]C(=O)CCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1230/440/360 676.6666666666666 1 linker/linker_2590.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2541 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[8-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-8-oxooctyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C7 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCCCCNC(C)=O O=C([R1])CCCCCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCC=O [R1]C(=O)CCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1230/470/240 646.6666666666666 1 linker/linker_2591.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2542 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[9-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-9-oxononyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C8 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCCCCCNC(C)=O O=C([R1])CCCCCCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCCC=O [R1]C(=O)CCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1380/240/420 680.0 1 linker/linker_2592.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2543 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[10-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-10-oxodecyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C9 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCCCCCCNC(C)=O O=C([R1])CCCCCCCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1560/310/410 760.0 1 linker/linker_2593.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2544 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(C(CCCCCCCCCCNC(COC5=CC(CCCN6C(CCl)=O)=C6C=C5)=O)=O)CC4)C=C3)N=C2N(C7CCCC7)C1=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCNC(=O)COC5=CC=C6C(=C5)CCCN6C(=O)CCl)CC4)C=N3)N=C2N(C2CCCC2)C1=O N-[11-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-11-oxoundecyl]-2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetamide C10 CC(C1=C(C)C2=CN=C(NC3=NC=C(N4CCN(CC4)[R1])C=C3)N=C2N(C5CCCC5)C1=O)=O O=CCCCCCCCCCCNC(C)=O O=C([R1])CCCCCCCCCCNC(C[R2])=O ClCC(N1C(C=C2)=C(CCC1)C=C2O[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CC(=O)NCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1680/560/540 926.6666666666666 1 linker/linker_2594.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_677.sdf 2545 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pyridine-2-carboxamide 1 JET-129 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CC [R1]CC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.7 196 1.7 196.0 1 linker/linker_9.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2546 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyridine-2-carboxamide 2 JET-142 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCC [R1]CCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.2 0.1 1.2 0.1 1 linker/linker_10.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2547 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]pyridine-2-carboxamide 2 JET-142 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCC [R1]CCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.7 0.7 1 linker/linker_10.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2548 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]pyridine-2-carboxamide 3 JET-130 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCC [R1]CCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.3 0.4 1.3 0.4 1 linker/linker_7.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2549 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]pyridine-2-carboxamide 3 JET-130 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCC [R1]CCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.8 0.8 1 linker/linker_7.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2550 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]pyridine-2-carboxamide 4 JET-135 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCC [R1]CCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1 2.2 1.0 2.2 1 linker/linker_2.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2551 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]pyridine-2-carboxamide 4 JET-135 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCC [R1]CCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 0.3 1 linker/linker_2.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2552 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]pyridine-2-carboxamide 5 JET-131 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCC [R1]CCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6 0.3 0.6 0.3 1 linker/linker_12.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2553 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]pyridine-2-carboxamide 5 JET-131 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCC [R1]CCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.6 0.6 1 linker/linker_12.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2554 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]pyridine-2-carboxamide 6 JET-136 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCCC [R1]CCCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.2 1.6 1.2 1.6 1 linker/linker_13.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2555 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptyl]pyridine-2-carboxamide 6 JET-136 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCCC [R1]CCCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.3 2.3 1 linker/linker_13.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2556 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]pyridine-2-carboxamide 7 JET-132 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCCCC [R1]CCCCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 1.5 0.2 1.5 1 linker/linker_33.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2557 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2=O)C(C3=C2C(NCCCCCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]pyridine-2-carboxamide 7 JET-132 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCCCCC [R1]CCCCCCCC[R2] O=C1NC(CCC1N(C(C2=C3C(N[R2])=CC=C2)=O)C3=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_33.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_7.sdf 2558 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]pyridine-2-carboxamide 8 JET-145 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCC [R1]CCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCC [R1]CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 3.3 0.5 3.3 0.5 1 linker/linker_10.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2559 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propyl]pyridine-2-carboxamide 8 JET-145 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCC [R1]CCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCC [R1]CCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.3 0.3 1 linker/linker_10.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2560 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]pyridine-2-carboxamide 9 JET-146 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCC [R1]CCCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCC [R1]CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.2 0.1 0.2 0.1 1 linker/linker_7.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2561 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butyl]pyridine-2-carboxamide 9 JET-146 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCC [R1]CCCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCC [R1]CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O <0.1 0.1 1 linker/linker_7.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2562 Q92793 CREB-binding protein CBP CREBBP O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]pyridine-2-carboxamide 10 JET-147 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCC [R1]CCCCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.2 0.2 0.2 0.2 1 linker/linker_2.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2563 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NC(CC1)=O)C1N(C2)C(C3=C2C(CCCCCNC(C(C=C4)=NC=C4C(N=C5)=CC6=C5C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)=O)=CC=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]pyridine-2-carboxamide 10 JET-147 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCCC [R1]CCCCC[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.1 0.1 1 linker/linker_2.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2564 Q92793 CREB-binding protein CBP CREBBP O=C(NCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]pyridine-2-carboxamide 11 JET-156 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCN [R1]CCN[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCN [R1]CCN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.6 1.3 0.6 1.3 1 linker/linker_140.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2565 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethyl]pyridine-2-carboxamide 11 JET-156 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCN [R1]CCN[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCN [R1]CCN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.8 1.8 1 linker/linker_140.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2566 Q92793 CREB-binding protein CBP CREBBP O=C(NCCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]pyridine-2-carboxamide 12 JET-153 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCN [R1]CCCN[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCN [R1]CCCN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.2 0.1 0.2 0.1 1 linker/linker_1104.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2567 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NCCCNC1=CC=CC2=C1CN(C3C(NC(CC3)=O)=O)C2=O)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]propyl]pyridine-2-carboxamide 12 JET-153 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCN [R1]CCCN[R2] O=C1NC(CCC1N2CC(C([R2])=CC=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCN [R1]CCCN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1.8 1.8 1 linker/linker_1104.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_18.sdf 2568 Q92793 CREB-binding protein CBP CREBBP O=C(NCCNC1=CC2=C(C(N(C3C(NC(CC3)=O)=O)C2)=O)C=C1)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]pyridine-2-carboxamide 13 JET-157 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCN [R1]CCN[R2] O=C1NC(CCC1N2CC(C=C([R2])C=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCN [R1]CCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1.1 0.1 1.1 0.1 1 linker/linker_140.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_21.sdf 2569 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NCCNC1=CC2=C(C(N(C3C(NC(CC3)=O)=O)C2)=O)C=C1)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethyl]pyridine-2-carboxamide 13 JET-157 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCN [R1]CCN[R2] O=C1NC(CCC1N2CC(C=C([R2])C=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCN [R1]CCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 5.1 5.1 1 linker/linker_140.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_21.sdf 2570 Q92793 CREB-binding protein CBP CREBBP O=C(NCCCNC1=CC2=C(C(N(C3C(NC(CC3)=O)=O)C2)=O)C=C1)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]propyl]pyridine-2-carboxamide 14 JET-158 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCN [R1]CCCN[R2] O=C1NC(CCC1N2CC(C=C([R2])C=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCN [R1]CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O <0.1 0.1 0.1 0.1 1 linker/linker_1104.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_21.sdf 2571 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(NCCCNC1=CC2=C(C(N(C3C(NC(CC3)=O)=O)C2)=O)C=C1)C4=NC=C(C5=CC6=C(C=N5)C(C7=NN(C8CCOCC8)C9=C7CN(C(C)=O)CC9)=CC=C6)C=C4 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]propyl]pyridine-2-carboxamide 14 JET-158 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C(N[R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O CCCN [R1]CCCN[R2] O=C1NC(CCC1N2CC(C=C([R2])C=C3)=C3C2=O)=O CRBN Q96SW2 [R1]NC(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 CCCN [R1]CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.3 0.3 1 linker/linker_1104.sdf warhead/warhead_2595.sdf e3_ligand/e3_ligand_21.sdf 2572 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CCN(C(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(NC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[1-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]piperidin-4-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 15 JET-179 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCNCC1 [R1]N1CCC(N[R2])CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]N1CCC(CC1)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.8 68 1.8 68.0 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2573 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]pyridine-2-carboxamide 16 JET-181 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCNCC1 [R1]NC1CCN([R2])CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 0.6 0.2 0.6 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2574 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]pyridine-2-carboxamide 16 JET-181 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCNCC1 [R1]NC1CCN([R2])CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.6 1.6 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2575 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3N4CC(C5CCN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)CC5)C4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[3-[1-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]piperidin-4-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 17 JET-184 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O C1(C2CNC2)CCNCC1 [R1]N1CCC(C2CN([R2])C2)CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 C1CC(C2CNC2)CCN1 [R1]N1CCC(CC1)C2CN(C2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.7 2.4 3.7 2.4 1 linker/linker_324.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2576 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3N4CCC(C5CCN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)CC5)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC(C6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[4-[1-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 18 JET-185 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O C1(C2CCNCC2)CCNCC1 [R1]N1CCC(C2CCN([R2])CC2)CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 C1CC(C2CCNCC2)CCN1 [R1]N1CCC(CC1)C2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 24 40.0 24.0 1 linker/linker_2626.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2577 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CC5(CCN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)CC5)C4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CC5)CC(NC5=CC=CC7=C5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[7-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-7-azaspiro[3.5]nonan-2-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 19 JET-188 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CC2(C1)CCNCC2 [R1]N(CC1)CCC21CC(N[R2])C2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CC2(CCNCC2)C1 [R1]N1CCC2(CC1)CC(C2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.7 51 1.7 51.0 1 linker/linker_2627.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2578 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CC5(CCN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)CC5)C4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CC5)CC(NC5=CC=CC7=C5C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[7-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-7-azaspiro[3.5]nonan-2-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 19 JET-188 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CC2(C1)CCNCC2 [R1]N(CC1)CCC21CC(N[R2])C2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CC2(CCNCC2)C1 [R1]N1CCC2(CC1)CC(C2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.3 9.3 1 linker/linker_2627.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2579 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CCC5(CCN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)CC5)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CCC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[3-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-3-azaspiro[5.5]undecan-9-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 20 JET-189 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCC2(CC1)CCNCC2 [R1]N(CC1)CCC21CCC(N[R2])CC2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCC2(CCNCC2)CC1 [R1]N1CCC2(CCC(CC2)N[R2])CC1 [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_2629.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2580 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CCC5(CN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)C5)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[2-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2-azaspiro[3.5]nonan-7-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 JET-192 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCC2(CC1)CNC2 [R1]N(C1)CC21CCC(N[R2])CC2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCC2(CC1)CNC2 [R1]N1CC2(C1)CCC(CC2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.8 44 4.8 44.0 1 linker/linker_2630.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2581 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CCC5(CN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)C5)CC4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CCC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[2-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2-azaspiro[3.5]nonan-7-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 21 JET-192 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CCC2(CC1)CNC2 [R1]N(C1)CC21CCC(N[R2])CC2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCC2(CC1)CNC2 [R1]N1CC2(C1)CCC(CC2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25 25.0 1 linker/linker_2630.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2582 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CC5(CN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)C5)C4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[2-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 22 JET-193 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CC2(C1)CNC2 [R1]N(C1)CC21CC(N[R2])C2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CC2(CNC2)C1 [R1]N1CC2(C1)CC(C2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.3 11.3 0.3 11.3 1 linker/linker_2632.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2583 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC=C3NC4CC5(CN(C(C(C=C6)=NC=C6C(N=C7)=CC8=C7C(C9=NN(C%10CCOCC%10)C%11=C9CN(C(C)=O)CC%11)=CC=C8)=O)C5)C4)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)N5CC6(CC(NC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)C5)N=C4)=NC=C13)=NN2C1CCOCC1 4-[[2-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyridine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 22 JET-193 CC(N1CCC2=C(C(C3=CC=CC4=CC(C5=CN=C(C([R1])=O)C=C5)=NC=C43)=NN2C6CCOCC6)C1)=O NC1CC2(C1)CNC2 [R1]N(C1)CC21CC(N[R2])C2 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CC2(CNC2)C1 [R1]N1CC2(C1)CC(C2)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.1 1.1 1 linker/linker_2632.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_16.sdf 2584 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC(N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyridine-2-carboxamide 23 JET-200 O=C([R1])C1=NC=C(C=C1)C2=CC3=C(C=N2)C(C4=NN(C5CCOCC5)C6=C4CN(C(C)=O)CC6)=CC=C3 NC1CCNCC1 [R1]NC1CCN([R2])CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1 0.1 1.0 0.1 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_616.sdf 2585 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)C(C3=C1C=CC(N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=C3)=O CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]pyridine-2-carboxamide 23 JET-200 O=C([R1])C1=NC=C(C=C1)C2=CC3=C(C=N2)C(C4=NN(C5CCOCC5)C6=C4CN(C(C)=O)CC6)=CC=C3 NC1CCNCC1 [R1]NC1CCN([R2])CC1 O=C(N1C2CCC(NC2=O)=O)C3=C(C1=O)C=CC([R2])=C3 CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.9 1.9 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_616.sdf 2586 Q92793 CREB-binding protein CBP CREBBP O=C1N(C2C(NC(CC2)=O)=O)CC3=C1C=CC(N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=C3 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]pyridine-2-carboxamide 24 JET-209 O=C([R1])C1=NC=C(C=C1)C2=CC3=C(C=N2)C(C4=NN(C5CCOCC5)C6=C4CN(C(C)=O)CC6)=CC=C3 NC1CCNCC1 [R1]NC1CCN([R2])CC1 [R2]C1=CC(CN2C3CCC(NC3=O)=O)=C(C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.1 19.7/0.04/0.54 0.1 6.759999999999999 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_21.sdf 2587 Q09472 Histone acetyltransferase p300 EP300 P300 O=C1N(C2C(NC(CC2)=O)=O)CC3=C1C=CC(N4CCC(NC(C(C=C5)=NC=C5C(N=C6)=CC7=C6C(C8=NN(C9CCOCC9)C%10=C8CN(C(C)=O)CC%10)=CC=C7)=O)CC4)=C3 CC(=O)N1CCC2=C(C1)C(C1=CC=CC3=CC(C4=CC=C(C(=O)NC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)N=C4)=NC=C13)=NN2C1CCOCC1 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]pyridine-2-carboxamide 24 JET-209 O=C([R1])C1=NC=C(C=C1)C2=CC3=C(C=N2)C(C4=NN(C5CCOCC5)C6=C4CN(C(C)=O)CC6)=CC=C3 NC1CCNCC1 [R1]NC1CCN([R2])CC1 [R2]C1=CC(CN2C3CCC(NC3=O)=O)=C(C2=O)C=C1 CRBN Q96SW2 [R1]C(=O)C1=NC=C(C=C1)C2=NC=C3C(=C2)C=CC=C3C4=NN(C5=C4CN(CC5)C(=O)C)C6CCOCC6 NC1CCNCC1 [R1]NC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.2 2.3 0.2 2.3 1 linker/linker_1108.sdf warhead/warhead_2622.sdf e3_ligand/e3_ligand_21.sdf 2588 Q09472 Histone acetyltransferase p300 EP300 P300 O=C(CCCCCCCCCCCNC1=CC2=C(C(N(C3CCC(NC3=O)=O)C2=O)=O)C=C1)NC4=CC=C5[C@](CN6CC(N([C@H](C(F)(F)F)C)CC7=CC=C(F)C=C7)=O)(OC6=O)CCC5=C4 C[C@H](N(CC1=CC=C(F)C=C1)C(=O)CN1C[C@]2(CCC3=CC(NC(=O)CCCCCCCCCCCNC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)=CC=C32)OC1=O)C(F)(F)F 12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2-oxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]dodecanamide JQAD1 JQAD1 O=C(NC1=CC=C2[C@](CN3CC(N([C@H](C(F)(F)F)C)CC4=CC=C(F)C=C4)=O)(OC3=O)CCC2=C1)[R1] CCCCCCCCCCCN [R1]CCCCCCCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O CRBN Q96SW2 [R1]C(=O)NC1=CC2=C(C=C1)[C@]3(CC2)CN(C(=O)O3)CC(=O)N(CC4=CC=C(C=C4)F)[C@@H](C)C(F)(F)F CCCCCCCCCCCN [R1]CCCCCCCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 91.2 91.2 1 linker/linker_1509.sdf warhead/warhead_2638.sdf e3_ligand/e3_ligand_616.sdf 2589 P37840 Alpha-synuclein Alpha-syn SNCA NACP O=C(CNC1=CC(C2=CC(C3=CC(OCO4)=C4C=C3)=NN2)=CC=C1)NCCOCCOCCOCCNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O O=C(CNC1=CC=CC(C2=CC(C3=CC=C4OCOC4=C3)=N[NH]2)=C1)NCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]anilino]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide 2b [R1]NC1=CC(C2=CC(C3=CC(OCO4)=C4C=C3)=NN2)=CC=C1 O=C(NCCOCCOCCOCC)C O=C(NCCOCCOCCOCC[R2])C[R1] O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3N[R2])=O)NC1=O CRBN Q96SW2 [R1]NC1=CC=CC(=C1)C2=CC(=NN2)C3=CC4=C(C=C3)OCO4 CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7510/3320 5415.0 0 linker/linker_225.sdf warhead/warhead_2639.sdf e3_ligand/e3_ligand_7.sdf 2590 P21802 Fibroblast growth factor receptor 2 FGFR2 BEK KGFR CN(C(NC1=C(C(OC)=CC(OC)=C1Cl)Cl)=O)C2=NC=NC(NC(C=C3)=CC=C3N4CCN(CC(NCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)CC4)=C2 COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl 2-[4-[4-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]phenyl]piperazin-1-yl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]acetamide LC-MB3 LC-MB3 ClC1=C(C=C(C(Cl)=C1NC(N(C2=NC=NC(NC3=CC=C(N4CCN([R1])CC4)C=C3)=C2)C)=O)OC)OC CC(NCCCCCN)=O O=C(NCCCCCN[R2])C[R1] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl CC(=O)NCCCCCN [R1]CC(=O)NCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 41.5 66 41.5 66.0 1 linker/linker_2078.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_16.sdf 2591 P21802 Fibroblast growth factor receptor 2 FGFR2 BEK KGFR CN(C(NC1=C(C(OC)=CC(OC)=C1Cl)Cl)=O)C2=NC=NC(NC(C=C3)=CC=C3N4CCN(C(CCCCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CC4)=C2 COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC=N2)=C1Cl 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-1-methylurea LC-MB4 LC-MB4 ClC1=C(C=C(C(Cl)=C1NC(N(C2=NC=NC(NC3=CC=C(N4CCN([R1])CC4)C=C3)=C2)C)=O)OC)OC O=CCCCCCCCN O=C([R1])CCCCCCCN[R2] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl NCCCCCCCC=O [R1]C(=O)CCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 40.0 0 linker/linker_467.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_16.sdf 2592 P21802 Fibroblast growth factor receptor 2 FGFR2 BEK KGFR O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=C(N4CCC(C(N5CCN(C6=CC=C(C=C6)NC7=CC(N(C(NC8=C(C(OC)=CC(OC)=C8Cl)Cl)=O)C)=NC=N7)CC5)=O)CC4)C=C3)=O COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)=NC=N2)=C1Cl 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-1-methylurea LC-MB12 LC-MB12 ClC1=C(C=C(C(Cl)=C1NC(N(C2=NC=NC(NC3=CC=C(N4CCN([R1])CC4)C=C3)=C2)C)=O)OC)OC O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11.8 10.3/29.1/3.7 11.8 14.366666666666667 1 linker/linker_2135.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_616.sdf 2593 P11362 Fibroblast growth factor receptor 1 FGFR1 BFGFR FLT-2 O=C1N(C2CCC(NC2=O)=O)C(C3=C1C=C(N4CCC(C(N5CCN(C6=CC=C(C=C6)NC7=CC(N(C(NC8=C(C(OC)=CC(OC)=C8Cl)Cl)=O)C)=NC=N7)CC5)=O)CC4)C=C3)=O COC1=CC(OC)=C(Cl)C(NC(=O)N(C)C2=CC(NC3=CC=C(N4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)C=C3)=NC=N2)=C1Cl 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]-1-methylurea LC-MB12 LC-MB12 ClC1=C(C=C(C(Cl)=C1NC(N(C2=NC=NC(NC3=CC=C(N4CCN([R1])CC4)C=C3)=C2)C)=O)OC)OC O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 125.2 125.2 1 linker/linker_2135.sdf warhead/warhead_1800.sdf e3_ligand/e3_ligand_616.sdf 2594 P49841 Glycogen synthase kinase-3 beta GSK-3beta GSK3B O=C(NCCCOCCCCOCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4C=C(C5=C(C6=CC=C(Cl)C=C6Cl)C(NC5=O)=O)C7=C4C=CC=C7 O=C(CN1C=C(C2=C(C3=CC=C(Cl)C=C3Cl)C(=O)NC2=O)C2=CC=CC=C21)NCCCOCCCCOCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[3-[4-(2,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]indol-1-yl]-N-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]butoxy]propyl]acetamide 1 O=C(NC1=O)C(C2=C(Cl)C=C(Cl)C=C2)=C1C(C3=CC=CC=C34)=CN4CC([R1])=O NCCCOCCCCOCCC [R1]NCCCOCCCCOCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=C(C=C4)Cl)Cl CCCOCCCCOCCCN [R1]NCCCOCCCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6220 6220.0 0 linker/linker_2644.sdf warhead/warhead_2644.sdf e3_ligand/e3_ligand_7.sdf 2595 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(NCC1=CN(CCCC(NC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)N=N1)C5=NC=CC(OC6=CC=C(NC(NC7=CC=C(Cl)C(C(F)(F)F)=C7)=O)C=C6)=C5 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCCN4C=C(CNC(=O)C5=CC(OC6=CC=C(NC(=O)NC7=CC=C(Cl)C(C(F)(F)F)=C7)C=C6)=CC=N5)N=N4)=C3C2=O)C(=O)N1 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-4-oxobutyl]triazol-4-yl]methyl]pyridine-2-carboxamide SA-PA SA-PA [R1]NC(C1=NC=CC(OC2=CC=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2)=C1)=O CC1=CN(CCCC=O)N=N1 O=C([R2])CCCN1N=NC(C[R1])=C1 O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F CC1=CN(CCCC=O)N=N1 [R1]CC1=CN(N=N1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5684/1157 3420.5 0 linker/linker_1843.sdf warhead/warhead_2645.sdf e3_ligand/e3_ligand_7.sdf 2596 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(NCC1=CN(CCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)N=N1)C5=NC=CC(OC6=CC=C(NC(NC7=CC=C(Cl)C(C(F)(F)F)=C7)=O)C=C6)=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCN3C=C(CNC(=O)C4=CC(OC5=CC=C(NC(=O)NC6=CC=C(Cl)C(C(F)(F)F)=C6)C=C5)=CC=N4)N=N3)C(C)(C)C)C=C2)SC=N1 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[[1-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-4-yl]methyl]pyridine-2-carboxamide SA-VA SA-VA [R1]NC(C1=NC=CC(OC2=CC=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2)=C1)=O CC1=CN(CCCC)N=N1 [R1]CC1=CN(CCCC[R2])N=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F CCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16024/1060 8542.0 0 linker/linker_1444.sdf warhead/warhead_2645.sdf e3_ligand/e3_ligand_27.sdf 2597 P16591 Tyrosine-protein kinase Fer FER TYK3 CP(C1=C(C=CC=C1)NC2=C(Cl)C=NC(NC3=CC=C(N4CCC(N5CCN(CC5)CCCCCC6=CC=CC7=C6CN(C8C(NC(CC8)=O)=O)C7=O)CC4)C=C3OC)=N2)(C)=O COC1=CC(N2CCC(N3CCN(CCCCCC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 3-[7-[5-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]pentyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 008 SIAIS352008 COC1=C(C=CC(N2CCC(N3CCN([R1])CC3)CC2)=C1)NC(N=C4NC5=CC=CC=C5P(C)(C)=O)=NC=C4Cl CCCCC [R1]CCCCC[R2] O=C1N(C2C(NC(CC2)=O)=O)CC3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC CCCCC [R1]CCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.2883/0.7839 0.5361 1 linker/linker_2.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_18.sdf 2598 P16591 Tyrosine-protein kinase Fer FER TYK3 CP(C1=C(NC2=NC(NC3=CC=C(C=C3OC)N4CCC(CC4)N5CCN(CCCC#CC6=CC=CC7=C6CC(C7=O)C8CCC(NC8=O)=O)CC5)=NC=C2Cl)C=CC=C1)(C)=O COC1=CC(N2CCC(N3CCN(CCCC#CC4=CC=CC5=C4CC(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 3-[7-[5-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]pent-1-ynyl]-3-oxo-1,2-dihydroinden-2-yl]piperidine-2,6-dione 039 SIAIS262039 COC1=C(C=CC(N2CCC(N3CCN([R1])CC3)CC2)=C1)NC(N=C4NC5=CC=CC=C5P(C)(C)=O)=NC=C4Cl CCCC#C [R1]CCCC#C[R2] O=C1N(C2C(NC(CC2)=O)=O)CC3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.4113/0.4356 0.42345 1 linker/linker_19.sdf warhead/warhead_425.sdf e3_ligand/e3_ligand_18.sdf 2599 Q06187 Bruton's tyrosine kinase BTK BPK ATK C[C@@H]1N(C2=CN=C(NC3=CC(C4=CC=NC(N5CCN6C(C5=O)=CC7=C6CC(C)(C)C7)=C4CO)=CN(C)C3=O)C=C2)CCN(C(CCCCCCCCCNC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C1 C[C@H]1CN(C(=O)CCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[[10-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-10-oxodecyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD1 PTD1 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCCCCCCCN O=C([R1])CCCCCCCCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31.2/32.1 31.65 1 linker/linker_465.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2600 Q06187 Bruton's tyrosine kinase BTK BPK ATK C[C@@H]1N(C2=CN=C(NC3=CC(C4=CC=NC(N5CCN6C(C5=O)=CC7=C6CC(C)(C)C7)=C4CO)=CN(C)C3=O)C=C2)CCN(C(CCCCCCOCCOCC(NC8=CC=CC(C(N9C%10CCC(NC%10=O)=O)=O)=C8C9=O)=O)=O)C1 C[C@H]1CN(C(=O)CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 2-[2-[7-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-7-oxoheptoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide PTD2 PTD2 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCCCCOCCOCC(N)=O O=C([R1])CCCCCCOCCOCC(N[R2])=O O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NC(=O)COCCOCCCCCCC=O [R1]C(=O)CCCCCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.6/4.1 5.35 1 linker/linker_2650.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2601 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CCCCCCOCCOCC(N[C@@H](C(C)(C)C)C(N8[C@H](C(NCC9=CC=C(C%10=C(C)N=CS%10)C=C9)=O)C[C@@H](O)C8)=O)=O)=O)C[C@@H]7C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCCCCCC(=O)N3CCN(C4=CC=C(NC5=CC(C6=CC=NC(N7CCN8C(=CC9=C8CC(C)(C)C9)C7=O)=C6CO)=CN(C)C5=O)N=C4)[C@@H](C)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[7-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-7-oxoheptoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PTD3 PTD3 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCCCCOCCOC O=C([R1])CCCCCCOCCOC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O VHL P40337 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO COCCOCCCCCCC=O [R1]C(=O)CCCCCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3000/>3000 3000.0 0 linker/linker_2651.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_27.sdf 2602 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(CCCCCCOCCOCC(NC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C[C@@H]7C C[C@H]1CN(CCCCCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 2-[2-[6-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]hexoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide PTD4 PTD4 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=C(COCCOCCCCCC)N O=C(COCCOCCCCCC[R1])N[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO CCCCCCOCCOCC(N)=O [R1]CCCCCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7/9.7 8.35 1 linker/linker_2652.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2603 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CCCCCCOCCOCC(NC8=CC=CC(C(N9C%10CCC(NC%10=O)=O)=O)=C8C9=O)=O)=O)CC7 CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(C(=O)CCCCCCOCCOCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O 2-[2-[7-[4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide PTD5 PTD5 OCC1=C(N=CC=C1C(C=C(C2=O)NC3=NC=C(C=C3)N4CCN([R1])CC4)=CN2C)N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O O=CCCCCCCOCCOCC(N)=O O=C([R1])CCCCCCOCCOCC(N[R2])=O O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NC(=O)COCCOCCCCCCC=O [R1]C(=O)CCCCCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4/7.2 5.6 1 linker/linker_2650.sdf warhead/warhead_2653.sdf e3_ligand/e3_ligand_16.sdf 2604 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(CCCCCCOCCOCC(NC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)CC7 CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(CCCCCCOCCOCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O 2-[2-[6-[4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]piperazin-1-yl]hexoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide PTD6 PTD6 OCC1=C(N=CC=C1C(C=C(C2=O)NC3=NC=C(C=C3)N4CCN([R1])CC4)=CN2C)N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O O=C(COCCOCCCCCC)N O=C(COCCOCCCCCC[R1])N[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO CCCCCCOCCOCC(N)=O [R1]CCCCCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.3/6.8 6.05 1 linker/linker_2652.sdf warhead/warhead_2653.sdf e3_ligand/e3_ligand_16.sdf 2605 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CCCCCCNC8=CC=CC(C(N9C%10CCC(NC%10=O)=O)=O)=C8C9=O)=O)CC7 CN1C=C(C2=CC=NC(N3CCN4C(=CC5=C4CC(C)(C)C5)C3=O)=C2CO)C=C(NC2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=N2)C1=O 4-[[7-[4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD7 PTD7 OCC1=C(N=CC=C1C(C=C(C2=O)NC3=NC=C(C=C3)N4CCN([R1])CC4)=CN2C)N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O O=CCCCCCCN O=C([R1])CCCCCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCCCCCC=O [R1]C(=O)CCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2/3.5 2.75 1 linker/linker_2655.sdf warhead/warhead_2653.sdf e3_ligand/e3_ligand_16.sdf 2606 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CCCCCCNC8=CC=CC(C(N9C%10CCC(NC%10=O)=O)=O)=C8C9=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[[7-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-7-oxoheptyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD8 PTD8 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCCCCN O=C([R1])CCCCCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCCCCCC=O [R1]C(=O)CCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.2/3.3 3.25 1 linker/linker_2655.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2607 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CCCNC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)CCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[[4-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD9 PTD9 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCN O=C([R1])CCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCCC=O [R1]C(=O)CCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9/1.0 0.95 1 linker/linker_2657.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2608 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CNC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[[2-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD10 PTD10 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCN O=C([R1])CN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCC=O [R1]C(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5/0.6 1.4/2.2 0.55 1.8 1 linker/linker_222.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2609 Q06187 Bruton's tyrosine kinase BTK BPK ATK C[C@@H]1N(CCN(C1)C(CCOCCOCCNC2=CC=CC(C(N3C4C(NC(CC4)=O)=O)=O)=C2C3=O)=O)C5=CN=C(C=C5)NC6=CC(C7=CC=NC(N8CCN9C(C8=O)=CC%10=C9CC(C)(C%10)C)=C7CO)=CN(C6=O)C C[C@H]1CN(C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[2-[2-[3-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD11 PTD11 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C NCCOCCOCCC=O O=C([R1])CCOCCOCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCOCCOCCC=O [R1]C(=O)CCOCCOCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.3/4.1 2.7 1 linker/linker_2659.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2610 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CNC8=CC=CC9=C8CN(C%10CCC(NC%10=O)=O)C9=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)CNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 3-[7-[[2-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione PTD12 PTD12 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CC O=C([R1])C[R2] O=C1C(C=CC=C2N[R2])=C2CN1C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3.6/4.6 4.1 1 linker/linker_521.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_17.sdf 2611 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(C8=CC=CC(C(N9C%10CCC(NC%10=O)=O)=O)=C8C9=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)C2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazine-1-carbonyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD13 PTD13 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=C O=C([R2])[R1] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO C=O [R1]C(=O)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >3000/>3000 3000.0 0 linker/linker_2661.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2612 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(COC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C[C@@H]7C C[C@H]1CN(C(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[2-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD14 PTD14 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCO O=C([R1])CO[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.7/3.1 2.4 1 linker/linker_1673.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2613 Q06187 Bruton's tyrosine kinase BTK BPK ATK C[C@@H]1N(C2=CN=C(NC3=CC(C4=CC=NC(N5CCN6C(C5=O)=CC7=C6CC(C)(C)C7)=C4CO)=CN(C)C3=O)C=C2)CCN(C(CCCCCCCCCCCNC8=CC=CC9=C8C(N(C%10CCC(NC%10=O)=O)C9=O)=O)=O)C1 C[C@H]1CN(C(=O)CCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 4-[[12-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-12-oxododecyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD15 PTD15 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCCCCCCCCCCCN O=C([R1])CCCCCCCCCCCN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 113/348 230.5 1 linker/linker_455.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2614 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C)C=C(C2=CC=NC(N3CCN4C(C3=O)=CC5=C4CC(C)(C)C5)=C2CO)C=C1NC(C=C6)=NC=C6N7CCN(C(CNC8=CC9=C(C(N(C%10C(NC(CC%10)=O)=O)C9=O)=O)C=C8)=O)C[C@@H]7C C[C@H]1CN(C(=O)CNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CCN1C1=CC=C(NC2=CC(C3=CC=NC(N4CCN5C(=CC6=C5CC(C)(C)C6)C4=O)=C3CO)=CN(C)C2=O)N=C1 5-[[2-[(3S)-4-[6-[[5-[2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.0^2,6]dodeca-2(6),7-dien-10-yl)-3-(hydroxymethyl)pyridin-4-yl]-1-methyl-2-oxopyridin-3-yl]amino]pyridin-3-yl]-3-methylpiperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione PTD16 PTD16 O=C1C(NC2=NC=C(N3CCN([R1])C[C@@H]3C)C=C2)=CC(C4=CC=NC(N5C(C6=CC7=C(N6CC5)CC(C)(C)C7)=O)=C4CO)=CN1C O=CCN O=C([R1])CN[R2] O=C(C1=C2C=CC=C1[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN([C@H](C1)C)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO NCC=O [R1]C(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.9/0.8 0.8500000000000001 1 linker/linker_222.sdf warhead/warhead_2649.sdf e3_ligand/e3_ligand_16.sdf 2615 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(NCCCCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)=O)C4=CC(OC)=C5N(C(NC(C6=CC(C)=NN6CC)=O)=NC5=C4)C/C=C/CN7C(NC(C8=CC(C)=NN8CC)=O)=NC9=CC(C(N)=O)=CC(OCCCN%10CCOCC%10)=C79 CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]carbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8885 UNC8885 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCCC [R1]NCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCCCN [R1]NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3017 3017.0 0 linker/linker_808.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2616 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(NCCOCCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)=O)C4=CC(OC)=C5N(C(NC(C6=CC(C)=NN6CC)=O)=NC5=C4)C/C=C/CN7C(NC(C8=CC(C)=NN8CC)=O)=NC9=CC(C(N)=O)=CC(OCCCN%10CCOCC%10)=C79 CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8957 UNC8957 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCOCC [R1]NCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCOCCN [R1]NCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3340 3340.0 0 linker/linker_2666.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2617 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(NCCCOCCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)=O)C4=CC(OC)=C5N(C(NC(C6=CC(C)=NN6CC)=O)=NC5=C4)C/C=C/CN7C(NC(C8=CC(C)=NN8CC)=O)=NC9=CC(C(N)=O)=CC(OCCCN%10CCOCC%10)=C79 CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8958 UNC8958 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCCOCC [R1]NCCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCOCCCN [R1]NCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2568 2568.0 0 linker/linker_2667.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2618 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(NCCOCCOCCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)=O)C4=CC(OC)=C5N(C(NC(C6=CC(C)=NN6CC)=O)=NC5=C4)C/C=C/CN7C(NC(C8=CC(C)=NN8CC)=O)=NC9=CC(C(N)=O)=CC(OCCCN%10CCOCC%10)=C79 CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8899 UNC8899 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCOCCOCC [R1]NCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCOCCOCCN [R1]NCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1097 1097.0 0 linker/linker_416.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2619 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1)NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N8[C@H](C(NCC9=CC=C(C%10=C(C)N=CS%10)C=C9)=O)C[C@@H](O)C8)=O)=O CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8972 UNC8972 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCOCCOCCOC [R1]NCCOCCOCCOC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2470 2470.0 0 linker/linker_215.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2620 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1)NCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N8[C@H](C(NCC9=CC=C(C%10=C(C)N=CS%10)C=C9)=O)C[C@@H](O)C8)=O)=O CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8900 UNC8900 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 924 924.0 1 linker/linker_1767.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2621 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1)NCCOCCOCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N8[C@H](C(NCC9=CC=C(C%10=C(C)N=CS%10)C=C9)=O)C[C@@H](O)C8)=O)=O CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[2-[2-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC8910 UNC8910 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCOCCOCCOCCOCCOCCOCC [R1]NCCOCCOCCOCCOCCOCCOCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCOCCOCCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4610 4610.0 0 linker/linker_1771.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2622 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1)NCCCCCCCCC(N[C@@H](C(C)(C)C)C(N8[C@H](C(NCC9=CC=C(C%10=C(C)N=CS%10)C=C9)=O)C[C@@H](O)C8)=O)=O CCN1N=C(C)C=C1C(=O)NC1=NC2=CC(C(=O)NCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=CC(OC)=C2N1C/C=C/CN1C(NC(=O)C2=CC(C)=NN2CC)=NC2=CC(C(N)=O)=CC(OCCCN3CCOCC3)=C21 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-5-[[9-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononyl]carbamoyl]-7-methoxybenzimidazol-1-yl]but-2-enyl]-7-(3-morpholin-4-ylpropoxy)benzimidazole-5-carboxamide UNC9036 UNC9036 O=C([R1])C1=CC(OC)=C2N(C/C=C/CN3C(NC(C4=CC(C)=NN4CC)=O)=NC5=CC(C(N)=O)=CC(OCCCN6CCOCC6)=C35)C(NC(C7=CC(C)=NN7CC)=O)=NC2=C1 NCCCCCCCC [R1]NCCCCCCCC[R2] CC1=C(SC=N1)C2=CC=C(C=C2)CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC([R2])=O)=O)O)=O VHL P40337 [R1]C(=O)C1=CC2=C(C(=C1)OC)N(C(=N2)NC(=O)C3=CC(=NN3CC)C)C/C=C/CN4C5=C(C=C(C=C5OCCCN6CCOCC6)C(=O)N)N=C4NC(=O)C7=CC(=NN7CC)C CCCCCCCCN [R1]NCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 227 227.0 1 linker/linker_312.sdf warhead/warhead_2665.sdf e3_ligand/e3_ligand_27.sdf 2623 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(N1[C@@H](C(NC2=C(OC)C=C(C(N)=O)C=C2)=O)[C@H](C3=C(F)C(Cl)=CC=C3)[C@@]4(C5=C(NC4=O)C=C(Cl)C=C5)[C@@H]1CC(C)(C)C)OCCOCCOCCOCCOC(N6[C@@H](C(NC7=C(OC)C=C(C(N)=O)C=C7)=O)[C@H](C8=C(F)C(Cl)=CC=C8)[C@@]9(C%10=C(NC9=O)C=C(Cl)C=C%10)[C@@H]6CC(C)(C)C)=O COC1=CC(C(N)=O)=CC=C1NC(=O)[C@H]1[C@H](C2=CC=CC(Cl)=C2F)[C@]2(C(=O)NC3=CC(Cl)=CC=C32)[C@H](CC(C)(C)C)N1C(=O)OCCOCCOCCOCCOC(=O)N1[C@@H](CC(C)(C)C)[C@@]2(C(=O)NC3=CC(Cl)=CC=C32)[C@@H](C2=CC=CC(Cl)=C2F)[C@@H]1C(=O)NC1=CC=C(C(N)=O)C=C1OC 2-[2-[2-[2-[(2'S,3R,4'S,5'R)-5'-[(4-carbamoyl-2-methoxyphenyl)carbamoyl]-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl]oxyethoxy]ethoxy]ethoxy]ethyl (2'S,3R,4'S,5'R)-5'-[(4-carbamoyl-2-methoxyphenyl)carbamoyl]-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate XR4 XR4 CC(C)(C[C@H]1[C@]2(C3=C(NC2=O)C=C(Cl)C=C3)[C@@H](C4=C(F)C(Cl)=CC=C4)[C@H](C(NC5=C(OC)C=C(C(N)=O)C=C5)=O)N1[R1])C O=COCCOCCOCCOCCOC=O O=C([R1])OCCOCCOCCOCCOC([R2])=O CC(C)(C[C@H]1[C@]2(C3=C(NC2=O)C=C(Cl)C=C3)[C@@H](C4=C(F)C(Cl)=CC=C4)[C@H](C(NC5=C(OC)C=C(C(N)=O)C=C5)=O)N1[R2])C MDM2 Q00987 [R1]N1[C@H]([C@@]2([C@H]([C@@H]1C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O)CC(C)(C)C O=COCCOCCOCCOCCOC=O [R1]C(=O)OCCOCCOCCOCCOC(=O)[R2] [R2]N1[C@H]([C@@]2([C@H]([C@@H]1C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O)CC(C)(C)C 5000 5000.0 0 linker/linker_2673.sdf warhead/warhead_2673.sdf e3_ligand/e3_ligand_2629.sdf 2624 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)OCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(C)N=CS7)=O)O)=O)=O)CC(F)(F)F)=O)C8=CC=C(C=C8)O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1S,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O OCCCCC [R1]OCCCCC[R2] O=C([R2])N[C@H](C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8110/70/130 2770.0 0 linker/linker_1099.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_23.sdf 2625 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)OCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(C)N=CS7)=O)O)=O)=O)CC(F)(F)F)=O)C8=CC=C(C=C8)OCC9=CC=C(C=C9)[N+]([O-])=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(OCC6=CC=C([N+](=O)[O-])C=C6)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[[(1S,4S)-5-(4-hydroxyphenyl)-6-[4-[(4-nitrophenyl)methoxy]phenyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8a OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)[N+]([O-])=O OCCCCC [R1]OCCCCC[R2] O=C([R2])N[C@H](C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 330/570 70930/15230/1560 450.0 29240.0 1 linker/linker_1099.sdf warhead/warhead_2675.sdf e3_ligand/e3_ligand_23.sdf 2626 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=S(C1[C@H]2C(C3=CC=C(OCC4=CC=C([N+]([O-])=O)C=C4)C=C3)=C([C@@H](C1)O2)C5=CC=C(C=C5)OCC6=CC=C(C=C6)[N+]([O-])=O)(N(C7=CC=C(C=C7)OCCCCCC(N[C@@H](C(C)(C)C)C(N8C[C@@H](C[C@H]8C(N[C@@H](C)C9=CC=C(C=C9)C%10=C(C)N=CS%10)=O)O)=O)=O)CC(F)(F)F)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(OCC6=CC=C([N+](=O)[O-])C=C6)C=C4)=C5C4=CC=C(OCC5=CC=C([N+](=O)[O-])C=C5)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis[4-[(4-nitrophenyl)methoxy]phenyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8b O=S(C1[C@H]2C(C3=CC=C(OCC4=CC=C([N+]([O-])=O)C=C4)C=C3)=C([C@@H](C1)O2)C5=CC=C(C=C5)OCC6=CC=C(C=C6)[N+]([O-])=O)(N(C7=CC=C(C=C7)[R1])CC(F)(F)F)=O OCCCCC [R1]OCCCCC[R2] O=C([R2])N[C@H](C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@@H]3C(=C([C@H]2O3)C4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OCC7=CC=C(C=C7)[N+](=O)[O-] CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/18230/3140 23790.0 0 linker/linker_1099.sdf warhead/warhead_2676.sdf e3_ligand/e3_ligand_23.sdf 2627 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C=C1)C2=C([C@@H]3C(C[C@H]2O3)S(=O)(N(C4=CC=C(C=C4)OCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(C)N=CS7)=O)OCC8=CC=C(C=C8)[N+]([O-])=O)=O)=O)CC(F)(F)F)=O)C9=CC=C(C=C9)O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](OCC4=CC=C([N+](=O)[O-])C=C4)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-[(4-nitrophenyl)methoxy]pyrrolidine-2-carboxamide 8c OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O OCCCCC [R1]OCCCCC[R2] [R2]C(N[C@H](C(N1C[C@H](OCC2=CC=C([N+]([O-])=O)C=C2)C[C@H]1C(N[C@H](C3=CC=C(C4=C(N=CS4)C)C=C3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)OCC4=CC=C(C=C4)[N+](=O)[O-])C(C)(C)C 64140/9740/2770 25550.0 0 linker/linker_1099.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_2633.sdf 2628 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C=C1)C2=C([C@@H]3C(C[C@H]2O3)S(=O)(N(C4=CC=C(C=C4)OCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@@H](C[C@H]5C(N[C@@H](C)C6=CC=C(C=C6)C7=C(C)N=CS7)=O)O)=O)=O)CC(F)(F)F)=O)C8=CC=C(C=C8)OCC9=CN=C([N+]([O-])=O)N9C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(OCC6=CN=C([N+](=O)[O-])N6C)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[[(1R,4R)-5-(4-hydroxyphenyl)-6-[4-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phenyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8d OC1=CC=C(C=C1)C2=C([C@@H]3C(C[C@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)OCC6=CN=C([N+]([O-])=O)N6C OCCCCC [R1]OCCCCC[R2] O=C([R2])N[C@H](C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@@H]3C(=C([C@H]2O3)C4=CC=C(C=C4)OCC5=CN=C(N5C)[N+](=O)[O-])C6=CC=C(C=C6)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 54780/11450/3790 23340.0 0 linker/linker_1099.sdf warhead/warhead_2678.sdf e3_ligand/e3_ligand_23.sdf 2629 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CN1C([N+]([O-])=O)=NC=C1COC2=CC=C(C3=C(C4=CC=C(OCC5=CN=C(N5C)[N+]([O-])=O)C=C4)[C@H]6C(C[C@@H]3O6)S(=O)(N(C7=CC=C(C=C7)OCCCCCC(N[C@@H](C(C)(C)C)C(N8C[C@@H](C[C@H]8C(N[C@@H](C)C9=CC=C(C=C9)C%10=C(C)N=CS%10)=O)O)=O)=O)CC(F)(F)F)=O)C=C2 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@@H]5O[C@H]4C(C4=CC=C(OCC6=CN=C([N+](=O)[O-])N6C)C=C4)=C5C4=CC=C(OCC5=CN=C([N+](=O)[O-])N5C)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1S,4S)-5,6-bis[4-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phenyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8e CN1C([N+]([O-])=O)=NC=C1COC2=CC=C(C3=C(C4=CC=C(OCC5=CN=C(N5C)[N+]([O-])=O)C=C4)[C@H]6C(C[C@@H]3O6)S(=O)(N(C7=CC=C(C=C7)[R1])CC(F)(F)F)=O)C=C2 OCCCCC [R1]OCCCCC[R2] O=C([R2])N[C@H](C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O)C(C)(C)C VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)OCC5=CN=C(N5C)[N+](=O)[O-])C6=CC=C(C=C6)OCC7=CN=C(N7C)[N+](=O)[O-] CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 79350/13830/5130 32770.0 0 linker/linker_1099.sdf warhead/warhead_2679.sdf e3_ligand/e3_ligand_23.sdf 2630 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)[C@H]4CC(S(=O)(N(CC)C5=CC=C(OCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NC([H])C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C=C5)=O)[C@@H]2O4 CCN(C1=CC=C(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[5-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD1 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCC [R1]OCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1110/15170/3030 6436.666666666667 0 linker/linker_1665.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2631 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C(C([H])NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC)C=C4)=O)=O)=O)C=C2 CCN(C1=CC=C(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD2 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCC [R1]OCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1610/14230/760 5533.333333333333 0 linker/linker_1099.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2632 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)[C@H]4CC(S(=O)(N(CC)C5=CC=C(OCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NC([H])C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C=C5)=O)[C@@H]2O4 CCN(C1=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[7-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD3 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCC [R1]OCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCCO [R1]OCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 430/>30000/>30000 20143.33333333333 0 linker/linker_1666.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2633 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C(C([H])NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC)C=C4)=O)=O)=O)C=C2 CCN(C1=CC=C(OCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[8-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD4 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCCC [R1]OCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCCCO [R1]OCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000/>30000/>30000 23333.33333333333 0 linker/linker_68.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2634 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)[C@H]4CC(S(=O)(N(CC)C5=CC=C(OCCCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(NC([H])C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C=C5)=O)[C@@H]2O4 CCN(C1=CC=C(OCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[9-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD5 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCCCC [R1]OCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCCCCO [R1]OCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000/>30000/>30000 23333.33333333333 0 linker/linker_1668.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2635 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C(C([H])NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC)C=C4)=O)=O)=O)C=C2 CCN(C1=CC=C(OCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[10-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD6 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCCCCC [R1]OCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCCCCCO [R1]OCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000/>30000/>30000 23333.33333333333 0 linker/linker_632.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_27.sdf 2636 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)[C@H]4CC(S(=O)(N(CC)C5=CC=C(OCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C=C5)=O)[C@@H]2O4 CCN(C1=CC=C(OCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[5-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ZD7 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCC [R1]OCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCO [R1]OCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 930/16780/14190 10633.333333333334 0 linker/linker_1665.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_23.sdf 2637 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC)C=C4)=O)=O)=O)C=C2 CCN(C1=CC=C(OCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ZD8 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCC [R1]OCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 310/12340/7510 6720.0 0 linker/linker_1099.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_23.sdf 2638 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)[C@H]4CC(S(=O)(N(CC)C5=CC=C(OCCCCCCC(N[C@@H](C(C)(C)C)C(N6C[C@H](O)C[C@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C=C5)=O)[C@@H]2O4 CCN(C1=CC=C(OCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 (2S,4R)-1-[(2S)-2-[7-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ZD9 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCC [R1]OCCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCCO [R1]OCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 570/>30000/>30000 20190.0 0 linker/linker_1666.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_23.sdf 2639 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CCN(S(C1C[C@@H]2C(C3=CC=C(O)C=C3)=C(C4=CC=C(O)C=C4)[C@H]1O2)(=O)=O)C(C=C5)=CC=C5OCCCCCC(NC6=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=CC=C6)=O CCN(C1=CC=C(OCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)S(=O)(=O)C1C[C@H]2O[C@@H]1C(C1=CC=C(O)C=C1)=C2C1=CC=C(O)C=C1 6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-ethylamino]phenoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide ZD10 OC1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC)C5=CC=C([R1])C=C5)=O)C[C@@H]2O4)C=C1 OCCCCCC=O O=C([R2])CCCCCO[R1] [R2]NC1=C(C2=CC=C1)C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=CCCCCCO [R1]OCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000/>100000/>100000 100000.0 0 linker/linker_826.sdf warhead/warhead_2680.sdf e3_ligand/e3_ligand_7.sdf 2640 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C(C([H])NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC(F)(F)F)C=C4)=O)=O)=O)C=C2 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD11 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O OCCCCC [R1]OCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 110/12980/12570 8553.333333333334 0 linker/linker_1099.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_27.sdf 2641 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N=CS1)=C1C2=CC=C([C@H](C)NC([C@@H]3C[C@@H](O)CN3C([C@H](C(C)(C)C)NC(CCCCCOC4=CC=C(N(S(C5C[C@@H]6C(C7=CC=C(O)C=C7)=C(C8=CC=C(O)C=C8)[C@H]5O6)(=O)=O)CC(F)(F)F)C=C4)=O)=O)=O)C=C2 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(N(CC(F)(F)F)S(=O)(=O)C4C[C@H]5O[C@@H]4C(C4=CC=C(O)C=C4)=C5C4=CC=C(O)C=C4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ZD12 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O OCCCCC [R1]OCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50/4170/1350 1856.6666666666667 0 linker/linker_1099.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_23.sdf 2642 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C2=C([C@@H]3C(C[C@H]2O3)S(=O)(N(C4=CC=C(C=C4)OC)CC(F)(F)F)=O)C5=CC=C(C=C5)OCCCCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(NC(C7=CC=C(C=C7)C8=C(N=CS8)C)[H])=O)O)=O)C(C)(C)C)=O)C=C1 COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3O[C@@H]2C(C2=CC=C(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C2)=C3C2=CC=C(O)C=C2)C=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[(1R,4R)-3-(4-hydroxyphenyl)-6-[(4-methoxyphenyl)-(2,2,2-trifluoroethyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ZD13 [R1]C1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC(F)(F)F)C5=CC=C(OC)C=C5)=O)C[C@@H]2O4)C=C1 OCCCCC [R1]OCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(NC(C2=CC=C(C=C2)C3=C(N=CS3)C)[H])=O)O)=O)NC([R2])=O VHL P40337 [R1]C1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000/>30000/>30000 23333.33333333333 0 linker/linker_1099.sdf warhead/warhead_2692.sdf e3_ligand/e3_ligand_27.sdf 2643 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC1=CC=C(C2=C([C@@H]3C(C[C@H]2O3)S(=O)(N(C4=CC=C(C=C4)OC)CC(F)(F)F)=O)C5=CC=C(C=C5)OCCCCCC(N[C@H](C(N6C[C@@H](C[C@H]6C(N[C@H](C7=CC=C(C=C7)C8=C(N=CS8)C)C)=O)O)=O)C(C)(C)C)=O)C=C1 COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3O[C@@H]2C(C2=CC=C(OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C2)=C3C2=CC=C(O)C=C2)C=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[(1R,4R)-3-(4-hydroxyphenyl)-6-[(4-methoxyphenyl)-(2,2,2-trifluoroethyl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide ZD14 [R1]C1=CC=C(C2=C(C3=CC=C(O)C=C3)[C@H]4C(S(=O)(N(CC(F)(F)F)C5=CC=C(OC)C=C5)=O)C[C@@H]2O4)C=C1 OCCCCC [R1]OCCCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)O CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000/>30000/>30000 23333.33333333333 0 linker/linker_1099.sdf warhead/warhead_2692.sdf e3_ligand/e3_ligand_23.sdf 2644 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCCCCNC(COC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[4-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide ZD15 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(NCCCCO)CO O=C(NCCCCO[R1])CO[R2] O=C(C1=CC=CC([R2])=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCCCO [R1]OCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >50000/>50000/>50000 50000.0 0 linker/linker_2694.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_16.sdf 2645 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCCCCCCNC(COC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[6-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide ZD16 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(NCCCCCCO)CO O=C(NCCCCCCO[R1])CO[R2] O=C(C1=CC=CC([R2])=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCCCCCO [R1]OCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11010/>30000/25420 22143.33333333333 0 linker/linker_2695.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_16.sdf 2646 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCCCCCCCCNC(COC6=C7C(C(N(C8C(NC(CC8)=O)=O)C7=O)=O)=CC=C6)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCOC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[8-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]octyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide ZD17 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(NCCCCCCCCO)CO O=C(NCCCCCCCCO[R1])CO[R2] O=C(C1=CC=CC([R2])=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCCCCCCCO [R1]OCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >50000/>50000/>50000 50000.0 0 linker/linker_2696.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_16.sdf 2647 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCC(NCCNC(COC6=CC=C(C7C(NC(CC7)=O)=O)C=C6)=O)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[2-[[2-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]acetyl]amino]ethyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide ZD18 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(CO)NCCNC(CO)=O O=C(CO[R1])NCCNC(CO[R2])=O O=C1NC(CCC1C2=CC=C([R2])C=C2)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCNC(=O)CO [R1]OCC(=O)NCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 1140/20970/17320 13143.333333333334 0 linker/linker_2697.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_1740.sdf 2648 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCC(NCCCCNC(COC6=CC=C(C7C(NC(CC7)=O)=O)C=C6)=O)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[4-[[2-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]acetyl]amino]butyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide ZD19 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(CO)NCCCCNC(CO)=O O=C(CO[R1])NCCCCNC(CO[R2])=O O=C1NC(CCC1C2=CC=C([R2])C=C2)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCCCNC(=O)CO [R1]OCC(=O)NCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 690/14520/14630 9946.666666666666 0 linker/linker_2698.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_1740.sdf 2649 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 OC(C=C1)=CC=C1C2=C(C3=CC=C(O)C=C3)C4CC(S(=O)(N(CC(F)(F)F)C5=CC=C(OCC(NCCCCCCNC(COC6=CC=C(C7C(NC(CC7)=O)=O)C=C6)=O)=O)C=C5)=O)[C@H]2O4 O=C(COC1=CC=C(C2CCC(=O)NC2=O)C=C1)NCCCCCCNC(=O)COC1=CC=C(N(CC(F)(F)F)S(=O)(=O)C2CC3O[C@H]2C(C2=CC=C(O)C=C2)=C3C2=CC=C(O)C=C2)C=C1 N-[6-[[2-[4-[[(1S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]sulfonyl-(2,2,2-trifluoroethyl)amino]phenoxy]acetyl]amino]hexyl]-2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetamide ZD20 OC1=CC=C(C=C1)C2=C([C@H]3C(C[C@@H]2O3)S(=O)(N(C4=CC=C(C=C4)[R1])CC(F)(F)F)=O)C5=CC=C(C=C5)O O=C(CO)NCCCCCCNC(CO)=O O=C(CO[R1])NCCCCCCNC(CO[R2])=O O=C1NC(CCC1C2=CC=C([R2])C=C2)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2C[C@H]3C(=C([C@@H]2O3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)O O=C(CO)NCCCCCCNC(=O)CO [R1]OCC(=O)NCCCCCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 6520/>30000/>30000 22173.33333333333 0 linker/linker_2699.sdf warhead/warhead_2674.sdf e3_ligand/e3_ligand_1740.sdf 2650 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CCC(N[C@H]5CC[C@@H](NC6=C7C(NC=C7C(C8=CC=C(OC9=CC=CC=C9)C=C8Cl)=O)=NC=N6)CC5)CC4)=C3)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N[C@H]5CC[C@@H](NC6=NC=NC7=C6C(C(=O)C6=CC=C(OC8=CC=CC=C8)C=C6Cl)=C[NH]7)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1a O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 N1CCCCC1 [R2]N1CCC([R1])CC1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl C1CCNCC1 [R1]C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.0/5.0 4.0 0 linker/linker_326.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2651 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2C(NC(CC2)=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4N(CC5)CCC5N[C@H]6CC[C@@H](NC7=C8C(C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=CNC8=NC=N7)CC6 O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N5CCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[4-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1b O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 N1(C2CCNCC2)CCCCC1 [R1]C1CCN(C2CCN([R2])CC2)CC1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl C1CCN(C2CCNCC2)CC1 [R1]C1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 15.0/18.5 16.75 0 linker/linker_2701.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2652 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1C(CCC(N1)=O)N2C(C(C=C3)=C(C2=O)C=C3N4CCC(CC4)N5CCC(CC5)CN[C@@H]6CC[C@@H](CC6)NC7=C8C(NC=C8C(C9=C(C=C(C=C9)OC%10=CC=CC=C%10)Cl)=O)=NC=N7)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[4-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]piperidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1c O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(C2CCN([R2])CC2)CC1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CCN(C2CCNCC2)CC1 [R1]CC1CCN(CC1)C2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39.0/42.5 40.75 0 linker/linker_2242.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2653 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1C(CCC(N1)=O)N2C(C(C=C3)=C(C2=O)C=C3N4CC(C4)N5CCC(CC5)CN[C@H]6CC[C@H](CC6)NC7=C8C(NC=C8C(C9=C(C=C(C=C9)OC%10=CC=CC=C%10)Cl)=O)=NC=N7)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)C4)C=C3C2=O)C(=O)N1 5-[3-[4-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]piperidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1d O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CCN(C2CNC2)CC1 [R1]CC1CCN(C2CN([R2])C2)CC1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CCN(C2CNC2)CC1 [R1]CC1CCN(CC1)C2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30.0/21.0 25.5 0 linker/linker_2703.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2654 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N1C2C(NC(CC2)=O)=O)C3=C(C=CC(N4CCC(CN5CCC(CN[C@@H]6CC[C@H](NC7=C(C(C(C(C=CC(OC8=CC=CC=C8)=C9)=C9Cl)=O)=CN%10)C%10=NC=N7)CC6)CC5)CC4)=C3)C1=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[4-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1e O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CCN(CC1)CC2CCNCC2 [R1]CC1CCN(CC1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48.0/63.5 55.75 0 linker/linker_2149.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2655 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2CCC(NC2=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4CCN(CC5)CCC5CN[C@H]6CC[C@@H](NC7=C8C(C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=CNC8=NC=N7)CC6 O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[2-[4-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1f O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CCN(CC1)CCC2CCNCC2 [R1]CC1CCN(CC1)CCC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CCN(CCC2CCNCC2)CC1 [R1]CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100.4 76.0/69.5 100.4 72.75 1 linker/linker_2705.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2656 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2C(NC(CC2)=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4CC(N(CC5)CCC5CN[C@H]6CC[C@@H](NC7=C8C(NC=C8C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=NC=N7)CC6)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CC(=O)N5CCC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[2-[4-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 1g O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CCN(C(CC2CCNCC2)=O)CC1 O=C(CC1CCN([R2])CC1)N(CC2)CCC2C[R1] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CCN(C(=O)CC2CCNCC2)CC1 [R1]CC1CCN(CC1)C(=O)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45.5/57.0 51.25 0 linker/linker_2706.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2657 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C1=CNC2=NC=NC(N[C@@H]3CC[C@@H](CC3)NC4CCN(CC4)CC5CCN(CC5)C6=CC7=C(C=C6)C(N(C7=O)C8C(NC(CC8)=O)=O)=O)=C21)C(C=CC(OC9=CC=CC=C9)=C%10)=C%10Cl O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[4-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2a O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 C1(CN2CCCCC2)CCNCC1 [R1]C1CCN(CC1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl C1CCN(CC2CCNCC2)CC1 [R1]C1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 51.5/62.0 56.75 0 linker/linker_2148.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2658 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2C(NC(CC2)=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4CN(CCC5)CC5N[C@H]6CC[C@@H](NC7=C8C(C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=CNC8=NC=N7)CC6 O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCCC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[3-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2b O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 N1(CC2CCNCC2)CCCCC1 [R1]C1CN(CCC1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl C1CCN(CC2CCNCC2)CC1 [R1]C1CCCN(C1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 31.5/74.0 52.75 0 linker/linker_2148.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2659 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1CCC(N2C(C3=C(C2=O)C=CC(N4CCC(CC4)CN5CCC(CC5)CCN[C@H]6CC[C@@H](NC7=C8C(C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=CNC8=NC=N7)CC6)=C3)=O)C(N1)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[4-[2-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2c O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CCC(CC1)CCN1CC2CCNCC2 [R1]CCC(CC1)CCN1CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CCC1CCN(CC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57.0/77.0 67.0 0 linker/linker_2709.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2660 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2CCC(NC2=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4CN(C5)CC5N[C@H]6CC[C@@H](NC7=C8C(NC=C8C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=NC=N7)CC6 O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CC(N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[3-[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2d O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 N1(CC2CCNCC2)CCC1 [R1]C1CN(CC2CCN([R2])CC2)C1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl C1CN(CC2CCNCC2)C1 [R1]C1CN(C1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32.0/24.0 28.0 0 linker/linker_2146.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2661 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C1=CNC2=NC=NC(N[C@@H]3CC[C@H](NCC4CN(C4)CC5CCN(CC5)C6=CC7=C(C(N(C7=O)C8C(NC(CC8)=O)=O)=O)C=C6)CC3)=C21)C9=C(C=C(C=C9)OC%10=CC=CC=C%10)Cl O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CC(CN[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)C5)CC4)C=C3C2=O)C(=O)N1 5-[4-[[3-[[[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]amino]methyl]azetidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 2e O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 CC1CN(C1)CC2CCNCC2 [R1]CC1CN(C1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl CC1CN(CC2CCNCC2)C1 [R1]CC1CN(C1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29.5/38.5 34.0 0 linker/linker_2147.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2662 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C1=CNC2=NC=NC(N[C@@H]3CC[C@H](NC(C4CCN(CC4)CC5CCN(CC5)C(C=C6)=CC(C(N7C8C(NC(CC8)=O)=O)=O)=C6C7=O)=O)CC3)=C21)C(C=CC(OC9=CC=CC=C9)=C%10)=C%10Cl O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(C(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidine-4-carboxamide 2f O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CC1CCN(CC1)CC2CCNCC2 O=C([R1])C1CCN(CC1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CC1CCN(CC2CCNCC2)CC1 [R1]C(=O)C1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 61.0/50.0 55.5 0 linker/linker_2155.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2663 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N(C1=O)C2C(NC(CC2)=O)=O)C(C=C3)=C1C=C3N(CC4)CCC4CN(CC5)CCC5CC(N[C@H]6CC[C@@H](NC7=C8C(C(C9=C(Cl)C=C(OC%10=CC=CC=C%10)C=C9)=O)=CNC8=NC=N7)CC6)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]acetamide 2g O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CC1)CC2CCNCC2 O=C([R1])CC1CCN(CC1)CC2CCN([R2])CC2 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24 79.5/73.5 24.0 76.5 1 linker/linker_2713.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2664 Q06187 Bruton's tyrosine kinase BTK BPK ATK ClC1=C(C=CC(OC2=CC=CC=C2)=C1)C(C3=CNC4=NC=NC(N[C@H](CC5)CC[C@H]5NC(CC6CCN(CC6)CC7(F)CCN(C8=CC9=C(C(N(C9=O)C%10CCC(NC%10=O)=O)=O)C=C8)CC7)=O)=C34)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(F)(CN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-fluoropiperidin-4-yl]methyl]piperidin-4-yl]acetamide 2h O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 FC1(CCNCC1)CN(CC2)CCC2CC=O FC1(CCN([R2])CC1)CN(CC2)CCC2CC([R1])=O O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CC2(F)CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CC2(CCN(CC2)[R2])F [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28.5/26.0 27.25 0 linker/linker_2714.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2665 Q06187 Bruton's tyrosine kinase BTK BPK ATK ClC1=C(C=CC(OC2=CC=CC=C2)=C1)C(C3=CNC4=NC=NC(N[C@H](CC5)CC[C@H]5NC(CC6CCN(CCC7CCN(C8=CC(C(N(C9CCC(NC9=O)=O)C%10=O)=O)=C%10C=C8)CC7)CC6)=O)=C34)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]acetamide 3a O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CCC2CCNCC2)CC1 O=C([R1])CC1CCN(CCC2CCN([R2])CC2)CC1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC([R2])=C3)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CCC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8.8 15.4/82.1/59.5 85.0/82.5 8.8 83.75 52.333333333333336 1 linker/linker_2715.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_616.sdf 2666 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N[C@H]1CC[C@H](CC1)NC2=C3C(C(C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)=O)=CNC3=NC=N2)CC6CCN(CC6)CCC7CCN(CC7)C8=CC(C(N9C%10C(NC(CC%10)=O)=O)=O)=C(C=C8F)C9=O O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]acetamide 3b O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CC1)CCC2CCNCC2 O=C([R1])CC1CCN(CC1)CCC2CCN([R2])CC2 FC1=CC2=C(C(N(C2=O)C3C(NC(CC3)=O)=O)=O)C=C1[R2] CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CCC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.3 28.2/47.0/116.5 87.0/88.5 9.3 87.75 63.9 1 linker/linker_2715.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_2040.sdf 2667 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N[C@H]1CC[C@H](CC1)NC2=C3C(NC=C3C(C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)=O)=NC=N2)CC6CCN(CC6)CCC7CCN(CC7)C8=CC=C9CN(C%10C(NC(CC%10)=O)=O)C(C9=C8)=O O=C1CCC(N2CC3=CC=C(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]acetamide 3c O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CC1)CCC2CCNCC2 O=C([R1])CC1CCN(CC1)CCC2CCN([R2])CC2 O=C1C2=CC([R2])=CC=C2CN1C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CCC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 7.4 5.9/9.3/34.4 83.0/87.0 7.4 85.0 16.533333333333335 1 linker/linker_2715.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_22.sdf 2668 Q06187 Bruton's tyrosine kinase BTK BPK ATK ClC1=C(C=CC(OC2=CC=CC=C2)=C1)C(C3=CNC4=NC=NC(N[C@@H](CC5)CC[C@@H]5NC(CC6CCN(CC6)CCC7CCN(CC7)C(C=C8CN9C%10CCC(NC%10=O)=O)=CC=C8C9=O)=O)=C43)=O O=C1CCC(N2CC3=CC(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)=CC=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]acetamide 3d O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CC1)CCC2CCNCC2 O=C([R1])CC1CCN(CC1)CCC2CCN([R2])CC2 O=C1C2=CC=C([R2])C=C2CN1C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CCC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 10.1 15.7/15.5 80.4/86.0 10.1 83.2 15.6 1 linker/linker_2715.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_21.sdf 2669 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(N[C@H]1CC[C@H](CC1)NC2=C3C(NC=C3C(C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)=O)=NC=N2)CC6CCN(CC6)CCC7CCN(CC7)C8=C(C=C(C(N(C9)C%10C(NC(CC%10)=O)=O)=O)C9=C8)F O=C1CCC(N2CC3=CC(N4CCC(CCN5CCC(CC(=O)N[C@H]6CC[C@@H](NC7=NC=NC8=C7C(C(=O)C7=CC=C(OC9=CC=CC=C9)C=C7Cl)=C[NH]8)CC6)CC5)CC4)=C(F)C=C3C2=O)C(=O)N1 N-[4-[[5-(2-chloro-4-phenoxybenzoyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]acetamide 3e O=C(C1=C(Cl)C=C(OC2=CC=CC=C2)C=C1)C3=CNC4=C3C(N[C@@H]5CC[C@H](N[R1])CC5)=NC=N4 O=CCC1CCN(CC1)CCC2CCNCC2 O=C([R1])CC1CCN(CC1)CCC2CCN([R2])CC2 O=C1C2=CC(F)=C([R2])C=C2CN1C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]N[C@H]1CC[C@H](CC1)NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl O=CCC1CCN(CCC2CCNCC2)CC1 [R1]C(=O)CC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2)C3CCC(=O)NC3=O 7 2.3/4.5/38.1 91.0/89.0 7.0 90.0 14.966666666666669 1 linker/linker_2715.sdf warhead/warhead_1773.sdf e3_ligand/e3_ligand_2675.sdf 2670 Q9UM73 Anaplastic lymphoma kinase ALK CD246 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCC(N4CCN(C5=CC=C(NC6=NC=C(Cl)C(NC7=CC=CC=C7S(=O)(C(C)C)=O)=N6)C(OC)=C5)CC4)=O)=O COC1=CC(N2CCN(C(=O)CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2S(=O)(=O)C(C)C)=N1 4-[[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione AP-1 AP-1 [R1]N1CCN(C2=CC=C(NC3=NC=C(Cl)C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)C(OC)=C2)CC1 CC=O O=C([R1])C[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4.6/357.6 0.1469/2704/>200000 181.1 67568.04896666667 1 linker/linker_521.sdf warhead/warhead_428.sdf e3_ligand/e3_ligand_7.sdf 2671 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-1 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCNC=O O=C([R1])NCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCNC=O [R1]C(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 53 90/93 53.0 91.5 1 linker/linker_1309.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2672 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-1 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCNC=O O=C([R1])NCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCNC=O [R1]C(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1812 1812.0 0 linker/linker_1309.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2673 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-2 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCNC=O O=C([R1])NCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCNC=O [R1]C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 119 83/75 119.0 79.0 1 linker/linker_1311.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2674 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-2 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCNC=O O=C([R1])NCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCNC=O [R1]C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1114 1114.0 0 linker/linker_1311.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2675 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-3 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCCCNC=O O=C([R1])NCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCCCNC=O [R1]C(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14 94/44 14.0 69.0 1 linker/linker_1313.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2676 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-3 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCCCNC=O O=C([R1])NCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCCCNC=O [R1]C(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 129 129.0 1 linker/linker_1313.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2677 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-4 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCCCCCNC=O O=C([R1])NCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCCCCCNC=O [R1]C(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.8/4.7 94/62 3.25 78.0 1 linker/linker_2503.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2678 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(O)C1=CC=C(OC)C(OCC2=CC=C(C(NCCCCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=C1 COC1=CC=C(C(=O)O)C=C1OCC1=CC=C(C(=O)NCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 3-[[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylcarbamoyl]phenyl]methoxy]-4-methoxybenzoic acid CT-4 O=C(C1=CC=C(C(OCC2=CC=C([R1])C=C2)=C1)OC)O CCCCCCCCNC=O O=C([R1])NCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)OC CCCCCCCCNC=O [R1]C(=O)NCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38/78.5 58.25 1 linker/linker_2503.sdf warhead/warhead_2721.sdf e3_ligand/e3_ligand_7.sdf 2679 Q8N4E7 Ferritin Mitochondrial FTMT O=C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)CNC(CCCCCCC/C=C\CCCCCCCC)=O CCCCCCCC/C=C\CCCCCCCC(=O)NCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[[(Z)-octadec-9-enoyl]amino]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide DeFer-1 CCCCCCCC/C=C\CCCCCCCC([R1])=O NC [R1]NC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O VHL P40337 [R1]C(=O)CCCCCCC/C=C\CCCCCCCC CN [R1]NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/6/0/22/23/25 12.666666666666666 0 linker/linker_2419.sdf warhead/warhead_2729.sdf e3_ligand/e3_ligand_27.sdf 2680 Q8N4E7 Ferritin Mitochondrial FTMT O=C(CCCNC(CCCCCCC/C=C\CCCCCCCC)=O)N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O CCCCCCCC/C=C\CCCCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[[(Z)-octadec-9-enoyl]amino]butanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide DeFer-2 CCCCCCCC/C=C\CCCCCCCC([R1])=O NCCC [R1]NCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O VHL P40337 [R1]C(=O)CCCCCCC/C=C\CCCCCCCC CCCN [R1]NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/32/46/45/54/58 39.16666666666666 0 linker/linker_1104.sdf warhead/warhead_2729.sdf e3_ligand/e3_ligand_27.sdf 2681 Q8N4E7 Ferritin Mitochondrial FTMT O=C(CCCCCNC(CCCCCCC/C=C\CCCCCCCC)=O)N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O CCCCCCCC/C=C\CCCCCCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-[[(Z)-octadec-9-enoyl]amino]hexanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide DeFer-3 CCCCCCCC/C=C\CCCCCCCC([R1])=O NCCCCC [R1]NCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O VHL P40337 [R1]C(=O)CCCCCCC/C=C\CCCCCCCC CCCCCN [R1]NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/1/0/16/46/53 19.33333333333333 0 linker/linker_188.sdf warhead/warhead_2729.sdf e3_ligand/e3_ligand_27.sdf 2682 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C(C=N4)=CN4CC(NCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)=O)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12 2-[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]pyrazol-1-yl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]acetamide 15 GXE99 ClC1=CC=C(NC2CCC3=NN=C(C)N3C(C=C4)=C2C=C4C(C=N5)=CN5[R1])C=C1 C#CCCCNC(C)=O O=C(C[R1])NCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCNC(C)=O [R1]CC(=O)NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2921/8187 5554.0 0 linker/linker_2732.sdf warhead/warhead_2732.sdf e3_ligand/e3_ligand_18.sdf 2683 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C(C=N4)=CN4CC(NCCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)=O)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12 2-[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]pyrazol-1-yl]-N-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynyl]acetamide 16 GXE117 ClC1=CC=C(NC2CCC3=NN=C(C)N3C(C=C4)=C2C=C4C(C=N5)=CN5[R1])C=C1 C#CCCCCNC(C)=O O=C(C[R1])NCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCCNC(C)=O [R1]CC(=O)NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 536/5329 2932.5 0 linker/linker_2733.sdf warhead/warhead_2732.sdf e3_ligand/e3_ligand_18.sdf 2684 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C(C=N4)=CN4CC(NCCCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)=O)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CN(CC(=O)NCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)N=C4)=CC=C3N12 2-[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]pyrazol-1-yl]-N-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynyl]acetamide 17 GXE118 ClC1=CC=C(NC2CCC3=NN=C(C)N3C(C=C4)=C2C=C4C(C=N5)=CN5[R1])C=C1 C#CCCCCCNC(C)=O O=C(C[R1])NCCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]N1C=C(C=N1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 178/1587 882.5 1 linker/linker_2734.sdf warhead/warhead_2732.sdf e3_ligand/e3_ligand_18.sdf 2685 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[3-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 18 GXF25 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCC#C [R1]CNCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCNC [R1]CNCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 690/2623 1656.5 0 linker/linker_2735.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2686 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]but-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 19 GXF45 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCC#C [R1]CNCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCNC [R1]CNCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1563/3366 2464.5 0 linker/linker_2736.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2687 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[5-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 20 GXF14 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCC#C [R1]CNCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCNC [R1]CNCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 649/1312 980.5 1 linker/linker_2737.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2688 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[6-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]hex-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 21 GXF09 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCCC#C [R1]CNCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCCNC [R1]CNCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 71.4/158 114.7 1 linker/linker_2738.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2689 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[7-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]hept-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 22 GXF15 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCCCC#C [R1]CNCCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C C#CCCCCCNC [R1]CNCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 19.9/156 87.95 1 linker/linker_2739.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2690 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[3-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 23 GXF65 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCC [R1]CNCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCNC [R1]CNCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1013/2831 1922.0 0 linker/linker_2740.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2691 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 24 GXF111 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCC [R1]CNCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCNC [R1]CNCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 6.31/95.2 0/12.5/57.9/78.5/79.3/77.8 51.0 50.755 0 linker/linker_2741.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2692 Q15059 Bromodomain-containing protein 3 Bromodomain 2 BRD3 BD2 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 24 GXF111 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCC [R1]CNCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCNC [R1]CNCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 230/2350/14260 5613.333333333333 0 linker/linker_2741.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2693 P25440 Bromodomain-containing protein 2 Bromodomain 1 BRD2 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 24 GXF111 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCC [R1]CNCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCNC [R1]CNCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 6960/17250 14.3/17.1/47.6/38.7/68.0/65.5 41.86666666666667 12105.0 0 linker/linker_2741.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2694 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[5-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]pentyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 25 GXF61 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCCC [R1]CNCCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCCNC [R1]CNCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 233/818 525.5 1 linker/linker_2744.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2695 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[6-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]hexyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 26 GXF73 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCCCC [R1]CNCCCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCCCNC [R1]CNCCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.40/31.4 15.9 1 linker/linker_2745.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2696 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CNCCCCCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[7-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methylamino]heptyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 27 GXF86 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CNCCCCCCC [R1]CNCCCCCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCCCCNC [R1]CNCCCCCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.76/27.3 14.03 1 linker/linker_2746.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2697 Q15059 Bromodomain-containing protein 3 Bromodomain 1 BRD3 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methyl-methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 28 GXH71 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CN(C)CCCC CN(C[R1])CCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCN(C)C [R1]CN(C)CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 7.46/85.4 46.43 1 linker/linker_2747.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2698 Q15059 Bromodomain-containing protein 3 Bromodomain 2 BRD3 BD2 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methyl-methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 28 GXH71 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CN(C)CCCC CN(C[R1])CCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCN(C)C [R1]CN(C)CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 730/3700/1240 1890.0 0 linker/linker_2747.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2699 P25440 Bromodomain-containing protein 2 Bromodomain 1 BRD2 BD1 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC(C6=O)=C5CN6C(C7=O)CCC(N7)=O)C=C4)=CC=C3N8C(C)=NN=C8CC2 CC1=NN=C2CCC(NC3=CC=C(Cl)C=C3)C3=CC(C4=CC=C(CN(C)CCCCC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C4)=CC=C3N12 3-[7-[4-[[4-[6-(4-chloroanilino)-1-methyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-8-yl]phenyl]methyl-methylamino]butyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione 28 GXH71 ClC(C=C1)=CC=C1NC2C3=CC(C4=CC=C([R1])C=C4)=CC=C3N5C(C)=NN=C5CC2 CN(C)CCCC CN(C[R1])CCCC[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C(=NN=C4CCC3NC5=CC=C(C=C5)Cl)C CCCCN(C)C [R1]CN(C)CCCC[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4200 4200.0 0 linker/linker_2747.sdf warhead/warhead_2735.sdf e3_ligand/e3_ligand_18.sdf 2700 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=NNC=C1NC(C2=C(Cl)C=CC=C2Cl)=O)NC3CCN(C(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)CC3 O=C1CCC(N2C(=O)C3=CC=CC(OCC(=O)N4CCC(NC(=O)C5=N[NH]C=C5NC(=O)C5=C(Cl)C=CC=C5Cl)CC4)=C3C2=O)C(=O)N1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 13a O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCO O=C([R1])CO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.62 6.62 1 linker/linker_1673.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2701 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=NNC=C1NC(C2=C(Cl)C=CC=C2Cl)=O)NC3CCN(CCC(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)CC3 O=C(CCN1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-3-oxobutyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15a O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O CCC(CO)=O O=C(CO[R2])CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl CCC(=O)CO [R1]CCC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 773.6 773.6 1 linker/linker_2751.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2702 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=NNC=C1NC(C2=C(Cl)C=CC=C2Cl)=O)NC3CCN(C(CCCCNC(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)=O)CC3 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15b O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O OCC(NCCCCC=O)=O O=C(CO[R2])NCCCCC([R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCNC(=O)CO [R1]C(=O)CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39.7 39.7 1 linker/linker_2104.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2703 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=CC=C1Cl)Cl)NC2=CNN=C2C(NC3CCN(CC3)C(CCCCCNC(COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)=O)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15c O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCNC(CO)=O O=C([R1])CCCCCNC(CO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCNC(=O)CO [R1]C(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 43.62 43.62 1 linker/linker_503.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2704 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=CC=C1Cl)Cl)NC2=CNN=C2C(NC3CCN(CC3)C(CCCCCCCNC(COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)=O)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15d O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCNC(CO)=O O=C([R1])CCCCCCCNC(CO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCNC(=O)CO [R1]C(=O)CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.7 2.7 1 linker/linker_2754.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2705 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=CC=C1Cl)Cl)NC2=CNN=C2C(NC3CCN(CC3)C(CCCCCCCCCCNC(COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)=O)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[11-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]undecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15e O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCCNC(CO)=O O=C([R1])CCCCCCCCCCNC(CO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/140 0.21 120.0 0.21 1 linker/linker_2755.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2706 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1=C(C=CC=C1Cl)Cl)NC2=CNN=C2C(NC3CCN(CC3)C(CCCCCCCCCCCNC(COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)=O)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[12-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]dodecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 15f O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCCCNC(CO)=O O=C([R1])CCCCCCCCCCCNC(CO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.04 0.04 1 linker/linker_2756.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2707 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK ClC1=CC=CC(Cl)=C1C(NC2=CNN=C2C(NC(CC3)CCN3C(CCCCCCCCCCNC(CNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=O)=O)=O O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[11-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]undecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 16 O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O NCC(NCCCCCCCCCCC=O)=O NCC(NCCCCCCCCCCC=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCCCCCC=O C(CCCCCNC(=O)CN)CCCCC=O [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30/50 0.12 40.0 0.12 1 linker/linker_2757.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2708 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK ClC1=CC=CC(Cl)=C1C(NC2=CNN=C2C(NC(CC3)CCN3C(COCCOCCOCCNC(COC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=O)=O)=O O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCOCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 17 O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O OCC(NCCOCCOCCOCC=O)=O O=C(CO[R2])NCCOCCOCCOCC([R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCOCCOCCOCCNC(=O)CO [R1]C(=O)COCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 42.08 42.08 1 linker/linker_381.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2709 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCNC(CCCCNC(COC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentanoylamino]pentanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25a O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCNC(CCCCNC(CO)=O)=O O=C([R1])CCCCNC(CCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCNC(=O)CCCCNC(=O)CO [R1]C(=O)CCCCNC(=O)CCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 92.25 92.25 1 linker/linker_2759.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2710 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCNC(CCCCCNC(COC4=CC=CC5=C4C(N(C5=O)C6CCC(NC6=O)=O)=O)=O)=O O=C(CCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[6-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexanoylamino]hexanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25b O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCNC(CCCCCNC(CO)=O)=O O=C([R1])CCCCCNC(CCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCNC(=O)CCCCCNC(=O)CO [R1]C(=O)CCCCCNC(=O)CCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47.43 47.43 1 linker/linker_2760.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2711 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[7-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]heptanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25c O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 11.69 11.69 1 linker/linker_2761.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2712 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[8-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]octanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25d O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.27 6.27 1 linker/linker_2762.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2713 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[9-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]nonanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25e O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.39 2.39 1 linker/linker_2763.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2714 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[10-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]decanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25f O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.82 0.82 1 linker/linker_2764.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2715 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[11-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]undecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25g O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 2.22 2.22 1 linker/linker_2765.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2716 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCCCCCCCCNC(CCCCCCNC(COC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCCCNC(=O)COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[12-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptanoylamino]dodecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 25h O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCCCNC(CCCCCCNC(CO)=O)=O O=C([R1])CCCCCCCCCCCNC(CCCCCCNC(CO[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl O=CCCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO [R1]C(=O)CCCCCCCCCCCNC(=O)CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 22.17 22.17 1 linker/linker_2766.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2717 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(NC1=CNN=C1C(NC2CCN(CC2)C(CCCCNC(CCCCNC(CNC3=CC=CC4=C3C(N(C4=O)C5CCC(NC5=O)=O)=O)=O)=O)=O)=O)C6=C(C=CC=C6Cl)Cl O=C(CCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[5-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentanoylamino]pentanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26a O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCNC(CCCCNC(CN)=O)=O O=C([R1])CCCCNC(CCCCNC(CN[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCC(=O)NCCCCC=O [R1]C(=O)CCCCNC(=O)CCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 83.21 83.21 1 linker/linker_2767.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2718 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCNC(CCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[6-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexanoylamino]hexanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26b O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCNC(CCCCCNC(CN)=O)=O O=C([R1])CCCCCNC(CCCCCNC(CN[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCC(=O)NCCCCCC=O [R1]C(=O)CCCCCNC(=O)CCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29.65 29.65 1 linker/linker_2768.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2719 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCNC(CCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[7-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]heptanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26c O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=C(NCCCCCCC=O)CCCCCCNC(CN)=O O=C(NCCCCCCC([R1])=O)CCCCCCNC(CN[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCC(=O)NCCCCCCC=O [R1]C(=O)CCCCCCNC(=O)CCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13.04 13.04 1 linker/linker_2769.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2720 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCCNC(CCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[8-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]octanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26d O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=C(NCCCCCCCC=O)CCCCCCNC(CN)=O O=C(NCCCCCCCC([R1])=O)CCCCCCNC(CN[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCC(=O)NCCCCCCCC=O [R1]C(=O)CCCCCCCNC(=O)CCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.96 6.96 1 linker/linker_2770.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2721 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCCCNC(CCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[9-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]nonanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26e O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=C(NCCCCCCCCC=O)CCCCCCNC(CN)=O O=C(NCCCCCCCCC([R1])=O)CCCCCCNC(CN[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCC(=O)NCCCCCCCCC=O [R1]C(=O)CCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.01 3.01 1 linker/linker_2771.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2722 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCCCCNC(CCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[10-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]decanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26f O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=C(NCCCCCCCCCC=O)CCCCCCNC(CN)=O O=C(NCCCCCCCCCC([R1])=O)CCCCCCNC(CN[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCC(=O)NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.4 1.4 1 linker/linker_2772.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2723 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCCCCCNC(CCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[11-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]undecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26g O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=C(NCCCCCCCCCCC=O)CCCCCCNC(CN)=O O=C(NCCCCCCCCCCC([R1])=O)CCCCCCNC(CN[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCC(=O)NCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCNC(=O)CCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9.43 9.43 1 linker/linker_2773.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2724 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(N1CCC(NC(C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O)=O)CC1)CCCCCCCCCCCNC(CCCCCCCCCCCNC(CNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)=O O=C(CCCCCCCCCCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCCCC(=O)N1CCC(NC(=O)C2=N[NH]C=C2NC(=O)C2=C(Cl)C=CC=C2Cl)CC1 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[12-[12-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]dodecanoylamino]dodecanoyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide 26h O=C(NC1CCN([R1])CC1)C2=NNC=C2NC(C3=C(C=CC=C3Cl)Cl)=O O=CCCCCCCCCCCCNC(CCCCCCCCCCCNC(CN)=O)=O O=C([R1])CCCCCCCCCCCNC(CCCCCCCCCCCNC(CN[R2])=O)=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)NC(=O)C2=NNC=C2NC(=O)C3=C(C=CC=C3Cl)Cl NCC(=O)NCCCCCCCCCCCC(=O)NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28.43 28.43 1 linker/linker_2774.sdf warhead/warhead_2750.sdf e3_ligand/e3_ligand_16.sdf 2725 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(Cl)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[3-amino-4-[3-[(3-chlorophenyl)carbamoylamino]phenyl]indazol-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-1 NC1=NN([R1])C2=C1C(C3=CC(NC(NC4=CC=CC(Cl)=C4)=O)=CC=C3)=CC=C2 CCCCCC=O O=C([R1])CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19992/>100000/>100000 73330.66666666667 0 linker/linker_255.sdf warhead/warhead_2775.sdf e3_ligand/e3_ligand_27.sdf 2726 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(Cl)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[12-[3-amino-4-[3-[(3-chlorophenyl)carbamoylamino]phenyl]indazol-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-2 NC1=NN([R1])C2=C1C(C3=CC(NC(NC4=CC=CC(Cl)=C4)=O)=CC=C3)=CC=C2 CCCCCCCCCCC=O O=C([R1])CCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20993/>100000/>100000 73664.33333333333 0 linker/linker_461.sdf warhead/warhead_2775.sdf e3_ligand/e3_ligand_27.sdf 2727 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCCCC(N2N=C(N)C3=C2C=CC=C3C4=CC=CC(NC(NC5=CC=CC(Cl)=C5)=O)=C4)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCC(=O)N3N=C(N)C4=C(C5=CC=CC(NC(=O)NC6=CC=CC(Cl)=C6)=C5)C=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[16-[3-amino-4-[3-[(3-chlorophenyl)carbamoylamino]phenyl]indazol-1-yl]-16-oxohexadecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC-3 NC1=NN([R1])C2=C1C(C3=CC(NC(NC4=CC=CC(Cl)=C4)=O)=CC=C3)=CC=C2 CCCCCCCCCCCCCCC=O O=C([R1])CCCCCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1C2=CC=CC(=C2C(=N1)N)C3=CC(=CC=C3)NC(=O)NC4=CC(=CC=C4)Cl CCCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28518/>100000/>100000 76172.66666666667 0 linker/linker_902.sdf warhead/warhead_2775.sdf e3_ligand/e3_ligand_27.sdf 2728 O60760 Hematopoietic prostaglandin D synthase HPGDS GSTS PTGDS2 O=C1CCC(C2=CC=C(NCC(N3CCN(C(C4CCN(C5=CC=C(NC(C6=CN=C(OC7=CC=CC=C7)N=C6)=O)C=C5)CC4)=O)CC3)=O)C=C2)C(N1)=O O=C1CCC(C2=CC=C(NCC(=O)N3CCN(C(=O)C4CCN(C5=CC=C(NC(=O)C6=CN=C(OC7=CC=CC=C7)N=C6)C=C5)CC4)CC3)C=C2)C(=O)N1 N-[4-[4-[4-[2-[4-(2,6-dioxopiperidin-3-yl)anilino]acetyl]piperazine-1-carbonyl]piperidin-1-yl]phenyl]-2-phenoxypyrimidine-5-carboxamide PROTAC-5 O=C(C1=CN=C(OC2=CC=CC=C2)N=C1)NC3=CC=C(C=C3)N(CC4)CCC4C(N5CCN([R1])CC5)=O NCC=O O=C([R1])CN[R2] O=C1CCC(C2=CC=C([R2])C=C2)C(N1)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CN=C(N=C4)OC5=CC=CC=C5 NCC=O [R1]C(=O)CN[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 0.104 0.104 1 linker/linker_222.sdf warhead/warhead_2778.sdf e3_ligand/e3_ligand_1740.sdf 2729 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CN1C=CN=N1 [R1]C(N=N1)=CN1C[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CN1C=CN=N1 [R1]C1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2779.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_27.sdf 2730 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CC(N[C@H](C(N4C[C@@H](C[C@H]4C(N[C@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 5 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CN1C=CN=N1 [R1]C(N=N1)=CN1C[R2] O=C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O)[R2] VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CN1C=CN=N1 [R1]C1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2779.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2736.sdf 2731 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[4-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CCCN1C=CN=N1 [R1]C(N=N1)=CN1CCC[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CCCN1C=CN=N1 [R1]C1=CN(N=N1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2781.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_27.sdf 2732 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(N[C@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[4-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CCCN1C=CN=N1 [R1]C(N=N1)=CN1CCC[R2] O=C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O)[R2] VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CCCN1C=CN=N1 [R1]C1=CN(N=N1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2781.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2736.sdf 2733 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(NCC5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CCCCCN1C=CN=N1 [R1]C(N=N1)=CN1CCCCC[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CCCCCN1C=CN=N1 [R1]C1=CN(N=N1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2783.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_27.sdf 2734 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCCCC(N[C@H](C(N4C[C@@H](C[C@H]4C(N[C@H](C)C5=CC=C(C=C5)C6=C(N=CS6)C)=O)O)=O)C(C)(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]7(C[C@@H]([C@@H]([C@]27[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N1)C2(C)C (2S,4R)-1-[(2S)-2-[6-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CCCCCN1C=CN=N1 [R1]C(N=N1)=CN1CCCCC[R2] O=C(N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O)[R2] VHL P40337 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CCCCCN1C=CN=N1 [R1]C1=CN(N=N1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >20000 20000.0 0 linker/linker_2783.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2736.sdf 2735 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CC(N[C@@H]([C@@H](C(N[C@H](C(OC)=O)CC(C)C)=O)O)CC4=CC=CC=C4)=O)=C)C(C)([C@@]1(/C=C(C([C@]5(C[C@@H]([C@@H]([C@]25[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C methyl (2S)-2-[[(2S,3R)-3-[[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]acetyl]amino]-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate 10 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O O=CCN1C=CN=N1 [R1]C(N=N1)=CN1CC([R2])=O COC([C@H](CC(C)C)NC([C@H]([C@@H](CC1=CC=CC=C1)N[R2])O)=O)=O cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O O=CCN1C=CN=N1 [R1]C1=CN(N=N1)CC(=O)[R2] [R2]N[C@H](CC1=CC=CC=C1)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)O >20000 20000.0 0 linker/linker_2785.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2741.sdf 2736 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCC(N[C@@H]([C@@H](C(N[C@H](C(OC)=O)CC(C)C)=O)O)CC4=CC=CC=C4)=O)=C)C(C)([C@@]1(/C=C(C([C@]5(C[C@@H]([C@@H]([C@]25[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C methyl (2S)-2-[[(2S,3R)-3-[4-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]butanoylamino]-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate 11 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O O=CCCCN1C=CN=N1 O=C([R2])CCCN1C=C([R1])N=N1 COC([C@H](CC(C)C)NC([C@H]([C@@H](CC1=CC=CC=C1)N[R2])O)=O)=O cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O O=CCCCN1C=CN=N1 [R1]C1=CN(N=N1)CCCC(=O)[R2] [R2]N[C@H](CC1=CC=CC=C1)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)O >20000 20000.0 0 linker/linker_2786.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2741.sdf 2737 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCCCCC(N[C@@H]([C@@H](C(N[C@H](C(OC)=O)CC(C)C)=O)O)CC4=CC=CC=C4)=O)=C)C(C)([C@@]1(/C=C(C([C@]5(C[C@@H]([C@@H]([C@]25[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCCCCC(=O)N[C@H](CC3=CC=CC=C3)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)OC)N=N1)C2(C)C methyl (2S)-2-[[(2S,3R)-3-[6-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]hexanoylamino]-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoate 12 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O O=CCCCCCN1C=CN=N1 O=C([R2])CCCCCN1C=C([R1])N=N1 COC([C@H](CC(C)C)NC([C@H]([C@@H](CC1=CC=CC=C1)N[R2])O)=O)=O cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O O=CCCCCCN1C=CN=N1 [R1]C1=CN(N=N1)CCCCCC(=O)[R2] [R2]N[C@H](CC1=CC=CC=C1)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)O >20000 20000.0 0 linker/linker_2787.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2741.sdf 2738 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCOCCOCCNC([C@@H](NC([C@@H](O)[C@@H](CC4=CC=CC=C4)NC(OC(C)(C)C)=O)=O)CC(C)C)=O)=C)C(C)([C@@]1(/C=C(C([C@]5(C[C@@H]([C@@H]([C@]25[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C tert-butyl N-[(2R,3S)-4-[[(2S)-1-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate 13 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O NCCOCCOCCN1C=CN=N1 [R1]C1=CN(CCOCCOCCN[R2])N=N1 O=C(N[C@@H]([C@@H](C(N[C@H](C([R2])=O)CC(C)C)=O)O)CC1=CC=CC=C1)OC(C)(C)C cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O NCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O 5300 5300.0 0 linker/linker_2788.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2744.sdf 2739 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF O[C@@H]([C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(NCCOCCOCCOCCN2C=C(N=N2)CO[C@@H](C(CC[C@@]3(C(C)([C@@]3(/C=C(C4=O)\C)[H])C)[H])=C)[C@]5([C@H]([C@H](C[C@]45O)C)O)[H])=O)=O C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C tert-butyl N-[(2R,3S)-4-[[(2S)-1-[2-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate 14 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O NCCOCCOCCOCCN1C=CN=N1 [R1]C(N=N1)=CN1CCOCCOCCOCCN[R2] O=C(N[C@@H]([C@@H](C(N[C@H](C([R2])=O)CC(C)C)=O)O)CC1=CC=CC=C1)OC(C)(C)C cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O NCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O >20000 20000.0 0 linker/linker_2789.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2744.sdf 2740 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF O[C@@H]([C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(NCCOCCOCCOCCOCCN2C=C(N=N2)CO[C@@H](C(CC[C@@]3(C(C)([C@@]3(/C=C(C4=O)\C)[H])C)[H])=C)[C@]5([C@H]([C@H](C[C@]45O)C)O)[H])=O)=O C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)N=N1)C2(C)C tert-butyl N-[(2R,3S)-4-[[(2S)-1-[2-[2-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate 15 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O NCCOCCOCCOCCOCCN1C=CN=N1 [R1]C(N=N1)=CN1CCOCCOCCOCCOCCN[R2] O=C(N[C@@H]([C@@H](C(N[C@H](C([R2])=O)CC(C)C)=O)O)CC1=CC=CC=C1)OC(C)(C)C cIAP1 Q13490 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O NCCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCCN[R2] [R2]C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O >20000 20000.0 0 linker/linker_2790.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2744.sdf 2741 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF O=C1CN(CCN1CC(NCCOCCOCCN2C=C(N=N2)CO[C@@H](C(CC[C@@]3(C(C)([C@@]3(/C=C(C4=O)\C)[H])C)[H])=C)[C@]5([C@H]([C@H](C[C@]45O)C)O)[H])=O)C(N([C@H]6C7=CC=C(C=C7)Cl)C(C8=CC=C(C=C8OC(C)C)OC)=N[C@@H]6C9=CC=C(C=C9)Cl)=O C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]acetamide 16 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CC(NCCOCCOCCN1C=CN=N1)=O O=C(NCCOCCOCCN1C=C([R1])N=N1)C[R2] ClC(C=C1)=CC=C1[C@@H](N=C2C3=CC=C(C=C3OC(C)C)OC)[C@@H](N2C(N(CC4=O)CCN4[R2])=O)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CC(=O)NCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)OC)OC(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl >20000 20000.0 0 linker/linker_2791.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2747.sdf 2742 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF [H][C@@]1(CCC([C@@H]2OCC(N=N3)=CN3CCOCCOCCOCCNC(CN4CCN(CC4=O)C(N([C@H]5C6=CC=C(C=C6)Cl)C(C7=CC=C(C=C7OC(C)C)OC)=N[C@@H]5C8=CC=C(C=C8)Cl)=O)=O)=C)C(C)([C@@]1(/C=C(C([C@]9(C[C@@H]([C@@H]([C@]29[H])O)C)O)=O)\C)[H])C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]acetamide 17 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CC(NCCOCCOCCOCCN1C=CN=N1)=O O=C(C[R2])NCCOCCOCCOCCN1C=C([R1])N=N1 ClC(C=C1)=CC=C1[C@@H](N=C2C3=CC=C(C=C3OC(C)C)OC)[C@@H](N2C(N(CC4=O)CCN4[R2])=O)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CC(=O)NCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)OC)OC(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl >20000 20000.0 0 linker/linker_2792.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2747.sdf 2743 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF O=C(NCCOCCOCCOCCOCCN1N=NC(CO[C@H]([C@]2([H])[C@@](C[C@H](C)[C@@H]2O)(O)C(/C(C)=C/[C@](C3(C)C)([H])[C@]3([H])CC4)=O)C4=C)=C1)CN5C(CN(C(N6[C@@H](C7=CC=C(Cl)C=C7)[C@@H](C8=CC=C(Cl)C=C8)N=C6C9=CC=C(OC)C=C9OC(C)C)=O)CC5)=O C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OCC1=CN(CCOCCOCCOCCOCCNC(=O)CN3CCN(C(=O)N4C(C5=CC=C(OC)C=C5OC(C)C)=N[C@H](C5=CC=C(Cl)C=C5)[C@@H]4C4=CC=C(Cl)C=C4)CC3=O)N=N1)C2(C)C 2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,12R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide 18 C[C@H]1C[C@@]2(C(/C(C)=C/[C@@](C3(C)C)([C@@]3(CCC([C@@H]([C@@]([C@H]1O)2[H])OC[R1])=C)[H])[H])=O)O CC(NCCOCCOCCOCCOCCN1C=CN=N1)=O O=C(NCCOCCOCCOCCOCCN1C=C([R1])N=N1)C[R2] ClC(C=C1)=CC=C1[C@@H](N=C2C3=CC=C(C=C3OC(C)C)OC)[C@@H](N2C(N(CC4=O)CCN4[R2])=O)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]CO[C@@H]1[C@H]2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CC(=O)NCCOCCOCCOCCOCCN1C=CN=N1 [R1]C1=CN(N=N1)CCOCCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@H]([C@H](N=C2C3=C(C=C(C=C3)OC)OC(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl >20000 20000.0 0 linker/linker_2793.sdf warhead/warhead_2779.sdf e3_ligand/e3_ligand_2747.sdf 2744 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 93 93.0 1 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2745 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67 67.0 0 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2746 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 95 95.0 1 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2747 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 1 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCC [R1]CCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 64 64.0 0 linker/linker_7.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2748 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCC [R1]CCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 96 96.0 1 linker/linker_13.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2749 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCC [R1]CCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 77 77.0 1 linker/linker_13.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2750 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCC [R1]CCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 95 95.0 1 linker/linker_13.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2751 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 2 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCCCCC [R1]CCCCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCCCCC [R1]CCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 72 72.0 1 linker/linker_13.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2752 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCCOCCC [R1]CCCOCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCCOCCC [R1]CCCOCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 71 71.0 1 linker/linker_2802.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2753 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCC [R1]CCCCOCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCC [R1]CCCCOCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 97 97.0 1 linker/linker_2802.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2754 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCC [R1]CCCCOCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCC [R1]CCCCOCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 70 70.0 1 linker/linker_2802.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2755 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 3 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCC [R1]CCCCOCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCC [R1]CCCCOCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 96 96.0 1 linker/linker_2802.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2756 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOC [R1]CCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 96 96.0 1 linker/linker_243.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2757 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOC [R1]CCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 60 60.0 0 linker/linker_243.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2758 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOC [R1]CCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 93 93.0 1 linker/linker_243.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2759 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 4 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCOCCOC [R2]CCOCCOC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCOCCOC [R1]COCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 56 56.0 0 linker/linker_243.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2760 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_168.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2761 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63 63.0 0 linker/linker_168.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2762 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_168.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2763 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCOCCOCCOC [R2]CCOCCOCCOC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCOCCOCCOC [R1]COCCOCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 63 63.0 0 linker/linker_168.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2764 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_2814.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2765 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 71 71.0 1 linker/linker_2814.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2766 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOC [R1]CCCCCCOCCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_2814.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2767 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCCCCOCCCCCCOC [R2]CCCCCCOCCCCCCOC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCCCCOCCCCCCOC [R1]COCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 22 22.0 0 linker/linker_2814.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2768 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_169.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2769 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 68 68.0 0 linker/linker_169.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2770 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCC [R1]CCCCCCOCCCCCOCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 97 97.0 1 linker/linker_169.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2771 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCCCCOCCCCCOCCCC [R2]CCCCCCOCCCCCOCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCCCCOCCCCCOCCCC [R1]CCCCOCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 17 17.0 0 linker/linker_169.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2772 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 97 97.0 1 linker/linker_2822.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2773 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 64 64.0 0 linker/linker_2822.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2774 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCC [R1]CCCCCCOCCCCCCOCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 96 96.0 1 linker/linker_2822.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_27.sdf 2775 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 8 O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCCCCOCCCCCCOCCCCC [R2]CCCCCCOCCCCCCOCCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCCCCOCCCCCCOCCCCC [R1]CCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 5 5.0 0 linker/linker_2822.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_2753.sdf 2776 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2.4 2540/1140/8.5 95 2.4 95.0 1229.5 1 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_23.sdf 2777 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6.2 1170/2.1/420 79 6.2 79.0 530.6999999999999 1 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_23.sdf 2778 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] O[C@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.7 1690/1.6/510 93 0.7 93.0 733.8666666666667 1 linker/linker_7.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_23.sdf 2779 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 O[C@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)CN1C([C@H](C(C)(C)C)NC([R1])=O)=O CCCC [R1]CCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 91 91.0 1 linker/linker_7.sdf warhead/warhead_2829.sdf e3_ligand/e3_ligand_2753.sdf 2780 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10a O=C(N[C@@H]1CCCC2=CC=CC=C21)[C@H]3N(C[C@H](C3)OC4=CC(O[R1])=CC=C4)C([C@@H](NC([C@H](NC)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 94 94.0 1 linker/linker_7.sdf warhead/warhead_2830.sdf e3_ligand/e3_ligand_23.sdf 2781 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10a O=C(N[C@@H]1CCCC2=CC=CC=C21)[C@H]3N(C[C@H](C3)OC4=CC(O[R1])=CC=C4)C([C@@H](NC([C@H](NC)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 63 63.0 0 linker/linker_7.sdf warhead/warhead_2830.sdf e3_ligand/e3_ligand_23.sdf 2782 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10a O=C(N[C@@H]1CCCC2=CC=CC=C21)[C@H]3N(C[C@H](C3)OC4=CC(O[R1])=CC=C4)C([C@@H](NC([C@H](NC)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 92 92.0 1 linker/linker_7.sdf warhead/warhead_2830.sdf e3_ligand/e3_ligand_23.sdf 2783 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCC(N[C@H](C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)C(C)(C)C)=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10a [R1]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O CCCC [R1]CCCC[R2] O=C(N[C@@H]1CCCC2=CC=CC=C21)[C@H]3N(C[C@H](C3)OC4=CC(O[R2])=CC=C4)C([C@@H](NC([C@H](NC)C)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 59 59.0 0 linker/linker_7.sdf warhead/warhead_2829.sdf e3_ligand/e3_ligand_2789.sdf 2784 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10b O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 98 98.0 1 linker/linker_7.sdf warhead/warhead_2834.sdf e3_ligand/e3_ligand_23.sdf 2785 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10b O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 73 73.0 1 linker/linker_7.sdf warhead/warhead_2834.sdf e3_ligand/e3_ligand_23.sdf 2786 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10b O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34 34.0 0 linker/linker_7.sdf warhead/warhead_2834.sdf e3_ligand/e3_ligand_23.sdf 2787 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10b [R1]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O CCCC [R1]CCCC[R2] O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R2])=C4)C([C@@H](NC([C@H](C)N(C)C)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 37 37.0 0 linker/linker_7.sdf warhead/warhead_2829.sdf e3_ligand/e3_ligand_2793.sdf 2788 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C(C)=O)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-2-cyclohexylacetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10c O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C(C)=O)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6 6.0 0 linker/linker_7.sdf warhead/warhead_2838.sdf e3_ligand/e3_ligand_23.sdf 2789 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C(C)=O)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-2-cyclohexylacetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10c O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C(C)=O)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <1 1.0 0 linker/linker_7.sdf warhead/warhead_2838.sdf e3_ligand/e3_ligand_23.sdf 2790 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C(C)=O)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-2-cyclohexylacetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10c O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R1])=C4)C([C@@H](NC([C@H](C)N(C(C)=O)C)=O)C5CCCCC5)=O CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12 12.0 0 linker/linker_7.sdf warhead/warhead_2838.sdf e3_ligand/e3_ligand_23.sdf 2791 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@@H](N(C)C(C)=O)C)=O)=O)C[C@@H](OC3=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C)=O)C[C@@H](O)C4)=O)=O)=C3)C1)N[C@@H]7CCCC8=C7C=CC=C8 CC(=O)N(C)[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-1-[(2S)-2-[5-[3-[(3S,5S)-1-[(2S)-2-[[(2S)-2-[acetyl(methyl)amino]propanoyl]amino]-2-cyclohexylacetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10c [R1]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O CCCC [R1]CCCC[R2] O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C[C@H](C3)OC4=CC=CC(O[R2])=C4)C([C@@H](NC([C@H](C)N(C(C)=O)C)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 <1 1.0 0 linker/linker_7.sdf warhead/warhead_2829.sdf e3_ligand/e3_ligand_2797.sdf 2792 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C(OC(C)(C)C)N([C@@H](C)C(N[C@@H](C1CCCCC1)C(N2[C@H](C(N[C@@H]3CCCC4=C3C=CC=C4)=O)C[C@H](OC5=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)C2)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S,4S)-4-[3-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentoxy]phenoxy]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate 10d O=C(N(C)[C@H](C(N[C@H](C(N1[C@@H](C[C@@H](C1)OC2=CC=CC(O[R1])=C2)C(N[C@@H]3CCCC4=C3C=CC=C4)=O)=O)C5CCCCC5)=O)C)OC(C)(C)C CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 27 27.0 0 linker/linker_7.sdf warhead/warhead_2842.sdf e3_ligand/e3_ligand_23.sdf 2793 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C(OC(C)(C)C)N([C@@H](C)C(N[C@@H](C1CCCCC1)C(N2[C@H](C(N[C@@H]3CCCC4=C3C=CC=C4)=O)C[C@H](OC5=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)C2)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S,4S)-4-[3-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentoxy]phenoxy]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate 10d O=C(N(C)[C@H](C(N[C@H](C(N1[C@@H](C[C@@H](C1)OC2=CC=CC(O[R1])=C2)C(N[C@@H]3CCCC4=C3C=CC=C4)=O)=O)C5CCCCC5)=O)C)OC(C)(C)C CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12 12.0 0 linker/linker_7.sdf warhead/warhead_2842.sdf e3_ligand/e3_ligand_23.sdf 2794 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C(OC(C)(C)C)N([C@@H](C)C(N[C@@H](C1CCCCC1)C(N2[C@H](C(N[C@@H]3CCCC4=C3C=CC=C4)=O)C[C@H](OC5=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)C2)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S,4S)-4-[3-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentoxy]phenoxy]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate 10d O=C(N(C)[C@H](C(N[C@H](C(N1[C@@H](C[C@@H](C1)OC2=CC=CC(O[R1])=C2)C(N[C@@H]3CCCC4=C3C=CC=C4)=O)=O)C5CCCCC5)=O)C)OC(C)(C)C CCCC [R1]CCCC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13 13.0 0 linker/linker_7.sdf warhead/warhead_2842.sdf e3_ligand/e3_ligand_23.sdf 2795 P40337 von Hippel-Lindau VHL pVHL O=C(OC(C)(C)C)N([C@@H](C)C(N[C@@H](C1CCCCC1)C(N2[C@H](C(N[C@@H]3CCCC4=C3C=CC=C4)=O)C[C@H](OC5=CC=CC(OCCCCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)C2)=O)=O)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=CC(O[C@H]4C[C@@H](C(=O)N[C@@H]5CCCC6=CC=CC=C65)N(C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C5CCCCC5)C4)=C3)C(C)(C)C)C=C2)SC=N1 tert-butyl N-[(2S)-1-[[(1S)-1-cyclohexyl-2-[(2S,4S)-4-[3-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentoxy]phenoxy]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate 10d [R1]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)=O CCCC [R1]CCCC[R2] O=C(N(C)[C@H](C(N[C@H](C(N1[C@@H](C[C@@H](C1)OC2=CC=CC(O[R2])=C2)C(N[C@@H]3CCCC4=C3C=CC=C4)=O)=O)C5CCCCC5)=O)C)OC(C)(C)C cIAP1 Q13490 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C CCCC [R1]CCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]4CCCC5=CC=CC=C45 <1 1.0 0 linker/linker_7.sdf warhead/warhead_2829.sdf e3_ligand/e3_ligand_2801.sdf 2796 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 12 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 96 96.0 1 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2797 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 12 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 71 71.0 1 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2798 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 12 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 95 95.0 1 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2799 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 12 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCC [R1]CCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCC [R1]CCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 45 45.0 0 linker/linker_2.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2800 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 13 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2801 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 13 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 85 85.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2802 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 13 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 95 95.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2803 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[8-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]octoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 13 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCCCCC [R1]CCCCCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCCCCC [R1]CCCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 47 47.0 0 linker/linker_33.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2804 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 14 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 98 98.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2805 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 14 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 85 85.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2806 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 14 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2807 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[4-[4-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]butoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 14 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCOCCCC [R2]CCCCOCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 61 61.0 0 linker/linker_182.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2808 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 15 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2809 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 15 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 68 68.0 0 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2810 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 15 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2811 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 15 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCOCCOCC [R2]CCOCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 49 49.0 0 linker/linker_1.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2812 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 16 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2813 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 16 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 69 69.0 0 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2814 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 16 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 98 98.0 1 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2815 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[2-[2-[2-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 16 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCOCCOCCOCC [R2]CCOCCOCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 59 59.0 0 linker/linker_15.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2816 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 17 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 97 97.0 1 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2817 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 17 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 69 69.0 0 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2818 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 17 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 99 99.0 1 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2819 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[2-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 17 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCCCOCCCCCCOCC [R2]CCCCCCOCCCCCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCCCOCCCCCCOCC [R1]CCOCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 19 19.0 0 linker/linker_2866.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2820 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 18 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 95 95.0 1 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2821 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 18 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 63 63.0 0 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2822 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 18 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 94 94.0 1 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2823 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCOCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCOCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[5-[5-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]pentoxy]pentoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 18 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCCCOCCCCCOCCCCC [R2]CCCCCCOCCCCCOCCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCCCOCCCCCOCCCCC [R1]CCCCCOCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 12 12.0 0 linker/linker_2870.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2824 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 19 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 73 73.0 1 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2825 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 19 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 16 16.0 0 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2826 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 19 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R2])=O)=O VHL P40337 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 66 66.0 0 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_180.sdf 2827 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCOC4=C(CNC([C@H]5N(C([C@H](C(C)C)N6C(C(C=CC=C7)=C7C6)=O)=O)C[C@H](O)C5)=O)C=CC(C8=C(C)N=CS8)=C4)=CC=C3)C1)N[C@@H]9CCCC%10=CC=CC=C%109 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCOC3=CC(C4=C(C)N=CS4)=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4R)-N-[[2-[6-[6-[6-[3-[(3S,5S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-3-yl]oxyphenoxy]hexoxy]hexoxy]hexoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 19 CC(C)[C@H](N1C(C2=C(C1)C=CC=C2)=O)C(N(C[C@@H](C3)O)[C@@H]3C(NCC(C=CC(C4=C(N=CS4)C)=C5)=C5O[R1])=O)=O CCCCCCOCCCCCCOCCCCCC [R2]CCCCCCOCCCCCCOCCCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 5 5.0 0 linker/linker_2874.sdf warhead/warhead_2849.sdf e3_ligand/e3_ligand_2753.sdf 2828 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 20 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 94 94.0 1 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2829 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 20 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 66 66.0 0 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2830 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 20 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 92 92.0 1 linker/linker_2.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2831 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 20 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCC [R1]CCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCC [R1]CCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 5 5.0 0 linker/linker_2.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2832 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 21 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 95 95.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2833 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 21 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 86 86.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2834 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 21 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 96 96.0 1 linker/linker_33.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2835 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 21 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCCCCC [R1]CCCCCCCC[R2] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCCC [R1]CCCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 10 10.0 0 linker/linker_33.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2836 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]butoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 22 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97 97.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2837 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]butoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 22 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 93 93.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2838 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]butoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 22 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 98 98.0 1 linker/linker_182.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2839 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCOCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCOCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]butoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 22 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCOCCCC [R2]CCCCOCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCOCCCC [R1]CCCCOCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 23 23.0 0 linker/linker_182.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2840 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 23 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 96 96.0 1 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2841 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 23 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 89 89.0 1 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2842 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 23 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 97 97.0 1 linker/linker_1.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2843 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 23 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCOCCOCC [R2]CCOCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 15 15.0 0 linker/linker_1.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2844 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 24 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 96 96.0 1 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2845 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 24 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 92 92.0 1 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2846 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 24 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 98 98.0 1 linker/linker_15.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2847 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCOCCOCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 24 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCOCCOCCOCC [R2]CCOCCOCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 14 14.0 0 linker/linker_15.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2848 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 25 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15200/180/27 95 95.0 5135.666666666667 1 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2849 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 25 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 300/52/380 92 92.0 244.0 1 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2850 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 25 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCC [R1]CCCCCCOCCCCCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 920/14/160 98 98.0 364.6666666666667 1 linker/linker_2866.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2851 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[2-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]ethoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 25 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCCCOCCCCCCOCC [R2]CCCCCCOCCCCCCOCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCOCCCCCCOCC [R1]CCOCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 9 9.0 0 linker/linker_2866.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2852 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]pentoxy]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 26 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90 90.0 1 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2853 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]pentoxy]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 26 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 84 84.0 1 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2854 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]pentoxy]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 26 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCOCCCCC [R1]CCCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 98 98.0 1 linker/linker_2870.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2855 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCOCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCOCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[5-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]pentoxy]pentoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 26 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCCCOCCCCCOCCCCC [R2]CCCCCCOCCCCCOCCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCOCCCCCOCCCCC [R1]CCCCCOCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 5 5.0 0 linker/linker_2870.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2856 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[6-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]hexoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 27 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1010/900/1990 73 73.0 1300.0 1 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2857 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[6-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]hexoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 27 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 770/630/840 54 54.0 746.6666666666666 0 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2858 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[6-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]hexoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 27 C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R1])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1000/440/570 92 92.0 670.0 1 linker/linker_2874.sdf warhead/warhead_2794.sdf e3_ligand/e3_ligand_7.sdf 2859 Q96SW2 Cereblon CRBN O=C([C@H]1N(C([C@H](C2CCCCC2)NC([C@H](C)NC)=O)=O)C[C@@H](OC3=CC(OCCCCCCOCCCCCCOCCCCCCNC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=CC=C3)C1)N[C@@H]7CCCC8=CC=CC=C87 CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](OC2=CC=CC(OCCCCCCOCCCCCCOCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2)C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C1CCCCC1 (2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[3-[6-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]hexoxy]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide 27 [R1]NC1=CC=CC(C(N2C3CCC(NC3=O)=O)=O)=C1C2=O CCCCCCOCCCCCCOCCCCCC [R2]CCCCCCOCCCCCCOCCCCCC[R1] C[C@H](NC)C(N[C@H](C(N1C[C@@H](OC2=CC(O[R2])=CC=C2)C[C@H]1C(N[C@@H]3CCCC4=CC=CC=C34)=O)=O)C5CCCCC5)=O cIAP1 Q13490 [R1]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O CCCCCCOCCCCCCOCCCCCC [R1]CCCCCCOCCCCCCOCCCCCC[R2] [R2]OC1=CC(=CC=C1)O[C@H]2C[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C)NC)C(=O)N[C@@H]4CCCC5=CC=CC=C45 5 5.0 0 linker/linker_2874.sdf warhead/warhead_168.sdf e3_ligand/e3_ligand_2753.sdf 2860 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-01 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCC [R1]NCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCN [R1]NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32/53 42.5 0 linker/linker_808.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2861 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-01 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCC [R1]NCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCN [R1]NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 35/58 46.5 0 linker/linker_808.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2862 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-02 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCC [R1]NCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCN [R1]NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34/45/61/81 55.25 0 linker/linker_188.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2863 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-02 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCC [R1]NCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCN [R1]NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 39/49/58/83 57.25 0 linker/linker_188.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2864 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-03 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCC [R1]NCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCN [R1]NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29/61 45.0 0 linker/linker_415.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2865 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-03 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCC [R1]NCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCN [R1]NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 24/69 46.5 0 linker/linker_415.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2866 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-04 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCC [R1]NCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCN [R1]NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/58 31.5 0 linker/linker_1319.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2867 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-04 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCC [R1]NCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCN [R1]NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/66 35.5 0 linker/linker_1319.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2868 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-05 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCCCC [R1]NCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCCCN [R1]NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/38 21.5 0 linker/linker_1507.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2869 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-05 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCCCC [R1]NCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCCCN [R1]NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/62 33.5 0 linker/linker_1507.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2870 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-06 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCCCCCC [R1]NCCCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCCCCCN [R1]NCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/29 17.0 0 linker/linker_1509.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2871 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-06 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCCCCCCCCCC [R1]NCCCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCCCCCCCCCCN [R1]NCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/30 17.5 0 linker/linker_1509.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2872 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCOCCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-07 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCOCC [R1]NCCOCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCOCCN [R1]NCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28/45 36.5 0 linker/linker_2666.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2873 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCOCCC(N[C@H](C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-07 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCOCC [R1]NCCOCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCOCCN [R1]NCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 33/47 40.0 0 linker/linker_2666.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2874 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCOCCC(N[C@H](C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-08 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCOCC [R1]NCCOCC[R2] CC(C)(C)[C@@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)NC([R2])=O VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCOCCN [R1]NCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53/75 64.0 0 linker/linker_2666.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_23.sdf 2875 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCCOCCC(N[C@H](C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)C(C)(C)C)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-08 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCCOCC [R1]NCCOCC[R2] CC(C)(C)[C@@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)NC([R2])=O VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCOCCN [R1]NCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 57/63 60.0 0 linker/linker_2666.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_23.sdf 2876 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC=C5CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC=C2CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-09 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC=C1CC [R1]NCC1=CC=CC=C1CC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCC1=CC=CC=C1CN [R1]NCC1=CC=CC=C1CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/16 10.5 0 linker/linker_2926.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2877 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC=C5CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC=C2CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-09 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC=C1CC [R1]NCC1=CC=CC=C1CC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCC1=CC=CC=C1CN [R1]NCC1=CC=CC=C1CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/<5 5.0 0 linker/linker_2926.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2878 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC(CC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-10 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC(C)=C1 [R1]NCC1=CC=CC(C[R2])=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CC1=CC=CC(CN)=C1 [R1]NCC1=CC=CC(=C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 55/75 65.0 0 linker/linker_2928.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2879 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC(CC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-10 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC(C)=C1 [R1]NCC1=CC=CC(C[R2])=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CC1=CC=CC(CN)=C1 [R1]NCC1=CC=CC(=C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 58/70 64.0 0 linker/linker_2928.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2880 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=C(C(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=C(C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-11 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC=C1 [R1]NCC1=CC=C([R2])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC NCC1=CC=CC=C1 [R1]NCC1=CC=C(C=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/24 14.5 0 linker/linker_2205.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2881 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=C(C(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)C=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=C(C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-11 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC=C1 [R1]NCC1=CC=C([R2])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC NCC1=CC=CC=C1 [R1]NCC1=CC=C(C=C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9/37 23.0 0 linker/linker_2205.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2882 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(N5CCC(CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCC(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[4-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]piperidin-1-yl]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-12 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/26 15.5 0 linker/linker_2110.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2883 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(N5CCC(CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCC(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[4-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]piperidin-1-yl]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-12 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br CCC1CCNCC1 [R1]N1CCC(CC[R2])CC1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCC1CCNCC1 [R1]N1CCC(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/32 18.5 0 linker/linker_2110.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2884 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(N5CCN(CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[4-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-13 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br CCN1CCNCC1 [R1]N1CCN(CC[R2])CC1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/30 17.5 0 linker/linker_1321.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2885 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(N5CCN(CCC(N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)N2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[4-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]piperazin-1-yl]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-13 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br CCN1CCNCC1 [R1]N1CCN(CC[R2])CC1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CCN1CCNCC1 [R1]N1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5/14 9.5 0 linker/linker_1321.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_27.sdf 2886 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC(CC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-14 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC(C)=C1 [R1]NCC1=CC=CC(C[R2])=C1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)NC([R2])=O VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CC1=CC=CC(CN)=C1 [R1]NCC1=CC=CC(=C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.3 73/95 4.3 84.0 1 linker/linker_2928.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_23.sdf 2887 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CC2=CC=C(O)C(OC)=C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(C)C(Br)=C4)=O)C(NCC5=CC=CC(CC(N[C@@H](C(C)(C)C)C(N6[C@H](C(N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C)=O)C[C@@H](O)C6)=O)=O)=C5)=O)=O)C=C1)(P(O)(O)=O)F COC1=CC(CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)C(=O)N[C@@H](CCCCNC(=O)C2=CC=C(C)C(Br)=C2)C(=O)NCC2=CC=CC(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=C2)=CC=C1O [[4-[(2S)-3-[[(2S)-6-[(3-bromo-4-methylbenzoyl)amino]-1-[[3-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl]methylamino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid DU-14 CC1=CC=C(C(NCCCC[C@H](NC([C@@H](NC([C@@H](NC(CC2=CC(OC)=C(C=C2)O)=O)CC3=CC=CC=C3)=O)CC4=CC=C(C(P(O)(O)=O)(F)F)C=C4)=O)C([R1])=O)=O)C=C1Br NCC1=CC=CC(C)=C1 [R1]NCC1=CC=CC(C[R2])=C1 CC(C)(C)[C@@H](C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)NC([R2])=O VHL P40337 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC(=C(C=C1)C)Br)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC(=C(C=C4)O)OC CC1=CC=CC(CN)=C1 [R1]NCC1=CC=CC(=C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.8 75/92 4.8 83.5 1 linker/linker_2928.sdf warhead/warhead_2910.sdf e3_ligand/e3_ligand_23.sdf 2888 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(C)CCOCCOCC(NC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 12 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCOCCOCC(N)=O O=C(N[R2])COCCOCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCC(N)=O [R1]CCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 220.5 220.5 1 linker/linker_2938.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2889 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C(NC1=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=CC=C1)COCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7 CN(CCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 13 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(COCCOCCOCC)N O=C(COCCOCCOCC[R1])N[R2] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCOCC(N)=O [R1]CCOCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 352.6 352.6 1 linker/linker_2939.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2890 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C(NC1=C2C(C(N(C3CCC(NC3=O)=O)C2=O)=O)=CC=C1)COCCOCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7 CN(CCOCCOCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 14 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(COCCOCCOCCOCC)N O=C(COCCOCCOCCOCC[R1])N[R2] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCOCCOCC(N)=O [R1]CCOCCOCCOCCOCC(=O)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 286.2 286.2 1 linker/linker_1391.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2891 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(C)CCOCCNC(CNC3=CC=CC(C(N4C5CCC(NC5=O)=O)=O)=C3C4=O)=O)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 15 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(NCCOCC)CN O=C(NCCOCC[R1])CN[R2] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCNC(=O)CN [R1]CCOCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32.7 32.7 1 linker/linker_2941.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2892 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C1N(C2CCC(NC2=O)=O)C(C3=C1C(NCC(NCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7)=O)=CC=C3)=O CN(CCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 16 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(CN)NCCOCCOCC O=C(CN[R2])NCCOCCOCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCNC(=O)CN [R1]CCOCCOCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32.7 32.7 1 linker/linker_2942.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2893 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C1N(C2CCC(NC2=O)=O)C(C3=C1C(NCC(NCCOCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7)=O)=CC=C3)=O CN(CCOCCOCCOCCNC(=O)CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 17 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(CN)NCCOCCOCCOCC O=C(CN[R2])NCCOCCOCCOCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C([R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCOCCNC(=O)CN [R1]CCOCCOCCOCCNC(=O)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62.2 62.2 1 linker/linker_2943.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_16.sdf 2894 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(CCC2=C(C1)NN=C2C(NC3=CN([C@H](C4=CC=CC=C4)CCN(CCOCCC(NC5=CC=C(C6=C5)C(N(C6=O)C7CCC(NC7=O)=O)=O)=O)C)N=C3)=O)C CN(CCOCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-3-oxopropoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 18 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCOCCC(N)=O O=C(N[R2])CCOCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCC(N)=O [R1]CCOCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 15.6 15.6 1 linker/linker_2944.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2895 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(C)CCOCCOCC(NC3=CC=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=C3)=O)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 19 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCOCCOCC(N)=O O=C(N[R2])COCCOCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCC(N)=O [R1]CCOCCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 26.7 26.7 1 linker/linker_2938.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2896 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C(NC1=CC=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=C1)COCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7 CN(CCOCCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 20 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(COCCOCCOCC)N O=C(COCCOCCOCC[R1])N[R2] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCOCC(N)=O [R1]CCOCCOCCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 94.1 94.1 1 linker/linker_2939.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2897 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C(NC1=CC2=C(C(N(C3CCC(NC3=O)=O)C2=O)=O)C=C1)COCCOCCOCCOCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7 CN(CCOCCOCCOCCOCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 21 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C O=C(COCCOCCOCCOCC)N O=C(COCCOCCOCCOCC[R1])N[R2] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCOCCOCCOCCOCC(N)=O [R1]CCOCCOCCOCCOCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 105.9 105.9 1 linker/linker_1391.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2898 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(CCCCC(NC3=CC=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=C3)=O)C)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-5-oxopentyl]-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 22 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.3 5.3 1 linker/linker_1831.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2899 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(CCCCCC(NC3=CC=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=C3)=O)C)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-6-oxohexyl]-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 23 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCCCCC(N)=O O=C(N[R2])CCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7/6 6.5 1 linker/linker_1263.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2900 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(CCCCCCC(NC3=CC=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=C3)=O)C)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-7-oxoheptyl]-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 24 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCCCCCC(N)=O O=C(N[R2])CCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCCCCCC(N)=O [R1]CCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9 9.0 1 linker/linker_1177.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2901 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN(N=C2)[C@@H](CCN(CCCCCCCCC(NC3=CC=C(C(N(C4CCC(NC4=O)=O)C5=O)=O)C5=C3)=O)C)C6=CC=CC=C6)=O)=NN7)=C7C1 CN(CCCCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-9-oxononyl]-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 25 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCCCCCCCC(N)=O O=C(N[R2])CCCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCCCCCCCC(N)=O [R1]CCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5.5 5.5 1 linker/linker_2406.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2902 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK O=C(NC1=CC=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=C1)CCCCCCCCCCN(C)CC[C@H](N4N=CC(NC(C5=NNC6=C5CCC(C)(C)C6)=O)=C4)C7=CC=CC=C7 CN(CCCCCCCCCCC(=O)NC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1)CC[C@@H](C1=CC=CC=C1)N1C=C(NC(=O)C2=N[NH]C3=C2CCC(C)(C)C3)C=N1 N-[1-[(1S)-3-[[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-11-oxoundecyl]-methylamino]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 26 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](CCN(C)[R1])C4=CC=CC=C4)=O)C CCCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N(C)CC[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCCCCCCCCCC(N)=O [R1]CCCCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 75.4 75.4 1 linker/linker_2952.sdf warhead/warhead_2938.sdf e3_ligand/e3_ligand_616.sdf 2903 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN([C@H](C3=CC=CC=C3)CCN4CCN(CCC5CCN(C6=CC=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=C6)CC5)CC4)N=C2)=O)=NN9)=C9C1 CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CCC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C2=CC=CC=C2)N=C1 N-[1-[(1S)-3-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperazin-1-yl]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 28 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](C[R1])C4=CC=CC=C4)=O)C CCN1CCN(CC1)CCC2CCNCC2 [R1]CCN1CCN(CC1)CCC2CCN([R2])CC2 O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]C[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CCN1CCN(CCC2CCNCC2)CC1 [R1]CCN1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.6 3.6 1 linker/linker_2953.sdf warhead/warhead_2953.sdf e3_ligand/e3_ligand_616.sdf 2904 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN([C@H](C3=CC=CC=C3)CCN4CCN(CC5CCN(C6=CC=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=C6)CC5)CC4)N=C2)=O)=NN9)=C9C1 CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)C2=CC=CC=C2)N=C1 N-[1-[(1S)-3-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 29 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](C[R1])C4=CC=CC=C4)=O)C CN1CCN(CC1)CC2CCNCC2 [R1]CN1CCN(CC1)CC2CCN([R2])CC2 O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]C[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CN1CCN(CC2CCNCC2)CC1 [R1]CN1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29.3 29.3 1 linker/linker_867.sdf warhead/warhead_2953.sdf e3_ligand/e3_ligand_616.sdf 2905 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN([C@H](C3=CC=CC=C3)CCN4CCN(CCC5CN(C6=CC=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=C6)C5)CC4)N=C2)=O)=NN9)=C9C1 CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CCC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)C2=CC=CC=C2)N=C1 N-[1-[(1S)-3-[4-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]ethyl]piperazin-1-yl]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 30 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](C[R1])C4=CC=CC=C4)=O)C CN1CCN(CC1)CCC2CNC2 [R1]CN1CCN(CC1)CCC2CN([R2])C2 O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]C[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CN1CCN(CCC2CNC2)CC1 [R1]CN1CCN(CC1)CCC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 142 142.0 1 linker/linker_2529.sdf warhead/warhead_2953.sdf e3_ligand/e3_ligand_616.sdf 2906 Q08881 Tyrosine-protein kinase ITK/TSK ITK EMT LYK CC1(C)CCC(C(C(NC2=CN([C@H](C3=CC=CC=C3)CCN4CCN(CC5CN(C6=CC=C(C(N(C7CCC(NC7=O)=O)C8=O)=O)C8=C6)C5)CC4)N=C2)=O)=NN9)=C9C1 CC1(C)CCC2=C(C1)[NH]N=C2C(=O)NC1=CN([C@@H](CCN2CCN(CC3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)C2=CC=CC=C2)N=C1 N-[1-[(1S)-3-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperazin-1-yl]-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide 31 CC1(CCC2=C(C1)NN=C2C(NC3=CN(N=C3)[C@@H](C[R1])C4=CC=CC=C4)=O)C CN1CCN(CC1)CC2CNC2 [R1]CN1CCN(CC1)CC2CN([R2])C2 O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]C[C@@H](C1=CC=CC=C1)N2C=C(C=N2)NC(=O)C3=NNC4=C3CCC(C4)(C)C CN1CCN(CC2CNC2)CC1 [R1]CN1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_2956.sdf warhead/warhead_2953.sdf e3_ligand/e3_ligand_616.sdf 2907 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC=C(N[C@H](CCN6CCN(CC(NCCCCCCCCC(N(CC7)CCN7C(N8C(C9=CC=C(Cl)C=C9)C(C%10=CC=C(Cl)C=C%10)N=C8C(C(OCC)=C%11)=CC=C%11C(C)(C)C)=O)=O)=O)CC6)CSC%12=CC=CC=C%12)C(S(=O)(C(F)(F)F)=O)=C5)=O)=O)C=C4)CC3)C1 CCOC1=CC(C(C)(C)C)=CC=C1C1=NC(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)N1C(=O)N1CCN(C(=O)CCCCCCCCNC(=O)CN2CCN(CC[C@H](CSC3=CC=CC=C3)NC3=CC=C(S(=O)(=O)NC(=O)C4=CC=C(N5CCN(CC6=C(C7=CC=C(Cl)C=C7)CCC(C)(C)C6)CC5)C=C4)C=C3S(=O)(=O)C(F)(F)F)CC2)CC1 N-[4-[[(2R)-4-[4-[2-[[9-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-9-oxononyl]amino]-2-oxoethyl]piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzamide BMM-4 CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN3CCN(C4=CC=C(C(NS(=O)(C5=CC=C(N[C@H](CCN6CCN(CC6)[R1])CSC7=CC=CC=C7)C(S(=O)(C(F)(F)F)=O)=C5)=O)=O)C=C4)CC3)C1 CC(NCCCCCCCCC=O)=O [R1]CC(NCCCCCCCCC([R2])=O)=O CC(C1=CC=C(C2=NC(C3=CC=C(Cl)C=C3)C(C4=CC=C(Cl)C=C4)N2C(N5CCN(CC5)[R2])=O)C(OCC)=C1)(C)C MDM2 Q00987 [R1]N1CCN(CC1)CC[C@H](CSC2=CC=CC=C2)NC3=C(C=C(C=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)C7=CC=C(C=C7)Cl)S(=O)(=O)C(F)(F)F CC(=O)NCCCCCCCCC=O [R1]CC(=O)NCCCCCCCCC(=O)[R2] [R2]N1CCN(CC1)C(=O)N2C(C(N=C2C3=C(C=C(C=C3)C(C)(C)C)OCC)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 4990 4990.0 0 linker/linker_2592.sdf warhead/warhead_521.sdf e3_ligand/e3_ligand_1955.sdf 2908 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3NCC(C=C4)=CC=C4C(N5CCOCC5)C(NCCCCCCCCNC(C[C@H]6C7=NN=C(C)N7C8=C(C(C9=CC=C(Cl)C=C9)=N6)C(C)=C(S8)C)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1 N-[8-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]octyl]-2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]phenyl]-2-morpholin-4-ylacetamide 13a CC1=C(C)C2=C(S1)N3C(C)=NN=C3[C@H](CC([R1])=O)N=C2C4=CC=C(Cl)C=C4 NCCCCCCCCNC(C(N1CCOCC1)C2=CC=C(C)C=C2)=O O=C(C(N1CCOCC1)C2=CC=C(C[R2])C=C2)NCCCCCCCCN[R1] O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(C(C(=O)NCCCCCCCCN)N2CCOCC2)C=C1 [R1]NCCCCCCCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 6.1 6.1 1 linker/linker_2958.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 2909 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(C(C(C1=CC=C(Cl)C=C1)=N2)=C3N4C([C@@H]2CC(NCCOCCNC(C(N5CCOCC5)C6=CC=C(CNC7=C8CN(C(C8=CC=C7)=O)C9CCC(NC9=O)=O)C=C6)=O)=O)=NN=C4C)=C(S3)C CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethyl]-2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]phenyl]-2-morpholin-4-ylacetamide 13b CC1=C(C)C2=C(S1)N3C(C)=NN=C3[C@H](CC([R1])=O)N=C2C4=CC=C(Cl)C=C4 NCCOCCNC(C(N1CCOCC1)C2=CC=C(C)C=C2)=O O=C(C(N1CCOCC1)C2=CC=C(C[R2])C=C2)NCCOCCN[R1] O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(C(C(=O)NCCOCCN)N2CCOCC2)C=C1 [R1]NCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 88 88.0 1 linker/linker_2959.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 2910 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3NCC(C=C4)=CC=C4C(N5CCOCC5)C(NCCOCCOCCNC(C[C@H]6C7=NN=C(C)N7C8=C(C(C)=C(S8)C)C(C9=CC=C(Cl)C=C9)=N6)=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethyl]-2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]phenyl]-2-morpholin-4-ylacetamide 13c CC1=C(C)C2=C(S1)N3C(C)=NN=C3[C@H](CC([R1])=O)N=C2C4=CC=C(Cl)C=C4 NCCOCCOCCNC(C(N1CCOCC1)C2=CC=C(C)C=C2)=O O=C(C(N1CCOCC1)C2=CC=C(C[R2])C=C2)NCCOCCOCCN[R1] O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(C(C(=O)NCCOCCOCCN)N2CCOCC2)C=C1 [R1]NCCOCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 162 162.0 1 linker/linker_2960.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 2911 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 CC(C(C(C1=CC=C(Cl)C=C1)=N2)=C3N4C([C@@H]2CC(NCCOCCOCCOCCNC(C(N5CCOCC5)C6=CC=C(CNC7=C8CN(C(C8=CC=C7)=O)C9CCC(NC9=O)=O)C=C6)=O)=O)=NN=C4C)=C(S3)C CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCOCCOCCOCCNC(=O)C(C1=CC=C(CNC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N1CCOCC1)N=C2C1=CC=C(Cl)C=C1 N-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]phenyl]-2-morpholin-4-ylacetamide 13d CC1=C(C)C2=C(S1)N3C(C)=NN=C3[C@H](CC([R1])=O)N=C2C4=CC=C(Cl)C=C4 NCCOCCOCCOCCNC(C(N1CCOCC1)C2=CC=C(C)C=C2)=O O=C(C(N1CCOCC1)C2=CC=C(C[R2])C=C2)NCCOCCOCCOCCN[R1] O=C(NC1=O)CCC1N(C(C2=CC=C3)=O)CC2=C3N[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(C(C(=O)NCCOCCOCCOCCN)N2CCOCC2)C=C1 [R1]NCCOCCOCCOCCNC(=O)C(C1=CC=C(C=C1)C[R2])N2CCOCC2 [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 83 83.0 1 linker/linker_2961.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_17.sdf 2912 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(OCCOCCOCCOCCC(NC4=CC5=C(NC6=CC=C(C(Cl)=C6)F)N=CN=C5C=C4O[C@@H]7COCC7)=O)=CC=C3)=O O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCC(=O)NC4=CC5=C(NC6=CC=C(F)C(Cl)=C6)N=CN=C5C=C4O[C@H]4CCOC4)=C3C2=O)C(=O)N1 N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-3-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanamide 8 ClC1=CC(NC2=C(C=C3N[R1])C(C=C3O[C@@H]4COCC4)=NC=N2)=CC=C1F O=CCCOCCOCCOCCO O=C([R1])CCOCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C([R2])=CC=C3)=O CRBN Q96SW2 [R1]NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4 O=CCCOCCOCCOCCO [R1]C(=O)CCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1300/1300 1300.0 0 linker/linker_2962.sdf warhead/warhead_2962.sdf e3_ligand/e3_ligand_16.sdf 2913 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C([C@H]1N(C([C@@H](NC(CCCCCCNC(CN2C[C@H](NC3=NC=C(Cl)C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3)CCC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C5=CC=C(C6=C(C)N=CS6)C=C5)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3CCC[C@@H](NC4=NC=C(Cl)C(NC5=CC=CC=C5S(=O)(=O)C(C)C)=N4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[(3R)-3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]piperidin-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide V7 ClC(C(NC1=CC=CC=C1S(C(C)C)(=O)=O)=N2)=CN=C2N[C@@H]3CCCN([R1])C3 CCCCCCNC(C)=O O=C(NCCCCCC[R2])C[R1] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]N1CCC[C@H](C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3S(=O)(=O)C(C)C)Cl CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 74/85 316/468/491 79.5 425.0 1 linker/linker_804.sdf warhead/warhead_1292.sdf e3_ligand/e3_ligand_23.sdf 2914 Q8TBX8 Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma PIP4K2C PIP5K2C CC([C@H](NC(C1(F)CC1)=O)C(N2C[C@H](O)C[C@H]2C(NCC3=C(C=C(C=C3)C4=C(N=CS4)C)OCCCCCCC(N5CCC(CCN6C7=CN=CC(NC8=NC=C(Cl)C(C9=CC=CC(C%10=CC=CC=C%10)=C9)=N8)=C7)(CC5)C6=O)=O)=O)=O)(C)C CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)=C2)SC=N1 (2S,4R)-N-[[2-[7-[2-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]pyridin-3-yl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-7-oxoheptoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide TMX-4152 [R1]C1=CC(NC2=NC=C(Cl)C(C3=CC(C4=CC=CC=C4)=CC=C3)=N2)=CN=C1 CCCCCCC(N(CC1)CCC21CCNC2=O)=O O=C(CCCCCC[R2])N(CC1)CCC21CCN([R1])C2=O [R2]OC1=CC(C2=C(C)N=CS2)=CC=C1CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CC(=C3)C4=CC=CC=C4)Cl CCCCCCC(=O)N1CCC2(CCNC2=O)CC1 [R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 107 107.0 1 linker/linker_2964.sdf warhead/warhead_2964.sdf e3_ligand/e3_ligand_1.sdf 2915 Q8TBX8 Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma PIP4K2C PIP5K2C O[C@H]1CN([C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C1)C([C@H](C(C)(C)C)NC(CCCCCC(N4CCC5(CC4)CCN(C5=O)C6=CN=CC(NC7=NC=C(Cl)C(C8=CC=CC(C9=CC=CC=C9)=C8)=N7)=C6)=O)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[7-[2-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]pyridin-3-yl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide TMX-4153 [R1]C1=CC(NC2=NC=C(Cl)C(C3=CC(C4=CC=CC=C4)=CC=C3)=N2)=CN=C1 CCCCCC(N1CCC2(CC1)CCNC2=O)=O O=C(N1CCC2(CC1)CCN([R1])C2=O)CCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O VHL P40337 [R1]C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CC(=C3)C4=CC=CC=C4)Cl CCCCCC(=O)N1CCC2(CCNC2=O)CC1 [R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 24/361 192.5 1 linker/linker_2965.sdf warhead/warhead_2964.sdf e3_ligand/e3_ligand_23.sdf 2916 Q8TBX8 Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma PIP4K2C PIP5K2C O[C@H]1CN(C([C@@H](NC(CCOCCC(N2CCC3(CCN(C4=CN=CC(NC5=NC=C(C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)Cl)=C4)C3=O)CC2)=O)=O)C(C)(C)C)=O)[C@@H](C1)C(N[C@H](C8=CC=C(C=C8)C9=C(N=CS9)C)C)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCC(=O)N3CCC4(CC3)CCN(C3=CN=CC(NC5=NC=C(Cl)C(C6=CC=CC(C7=CC=CC=C7)=C6)=N5)=C3)C4=O)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[3-[2-[5-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]pyridin-3-yl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-3-oxopropoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide QXG-4004 [R1]C1=CC(NC2=NC=C(Cl)C(C3=CC(C4=CC=CC=C4)=CC=C3)=N2)=CN=C1 CCOCCC(N1CCC2(CCNC2=O)CC1)=O O=C(CCOCC[R2])N1CCC2(CCN(C2=O)[R1])CC1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(N[C@H](C2=CC=C(C3=C(N=CS3)C)C=C2)C)=O)=O VHL P40337 [R1]C1=CC(=CN=C1)NC2=NC=C(C(=N2)C3=CC=CC(=C3)C4=CC=CC=C4)Cl CCOCCC(=O)N1CCC2(CCNC2=O)CC1 [R1]N1CCC2(C1=O)CCN(CC2)C(=O)CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 105 105.0 1 linker/linker_2966.sdf warhead/warhead_2964.sdf e3_ligand/e3_ligand_23.sdf 2917 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[5-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-5-oxopentanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8a CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCC=O O=C([R1])CCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCC=O [R1]C(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.28/11.7 10.489999999999998 0 linker/linker_232.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2918 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[6-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-6-oxohexanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8b CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCC=O O=C([R1])CCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16.4/37 26.7 0 linker/linker_443.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2919 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[7-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8c ZZ151 CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCC=O O=C([R1])CCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15.7 83.9/98.2 15.7 91.05 1 linker/linker_255.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2920 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[8-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-8-oxooctanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8d CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCCC=O O=C([R1])CCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25.2/47.3 36.25 0 linker/linker_256.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2921 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[9-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8e CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCCCC=O O=C([R1])CCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.4/80.2 55.8 0 linker/linker_257.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2922 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[10-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8f CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCCCCC=O O=C([R1])CCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_419.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2923 Q07889 Son of sevenless homolog 1 SOS1 O=C(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C1)[C@@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)CCCCCCCCCC(N(CC4)CCC4C5=CC6=C(N[C@H](C)C7=CC(N)=CC(C(F)(F)F)=C7)N=C(C)N=C6C=C5OC)=O COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[11-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-11-oxoundecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8g CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCCCCCC=O O=C([R1])CCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.65/37.9 23.775 0 linker/linker_258.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2924 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(COCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)COCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[4-[2-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-2-oxoethoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8h CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCOCC=O O=C([R1])COCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCOCC=O [R1]C(=O)COCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 49.3 54.6/90.2 49.3 72.4 1 linker/linker_2974.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2925 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCOCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[3-[3-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-3-oxopropoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8i CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 O=CCCOCC O=C([R1])CCOCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/22.9 11.45 0 linker/linker_530.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2926 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(CCCOCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)CCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[4-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-4-oxobutoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8j CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 O=CCCCOC O=C([R1])CCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC COCCCC=O [R1]C(=O)CCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.36/6.52 3.94 0 linker/linker_2976.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2927 Q07889 Son of sevenless homolog 1 SOS1 O=C(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C1)[C@@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)COCCOCC(N(CC4)CCC4C5=CC6=C(N[C@H](C)C7=CC(N)=CC(C(F)(F)F)=C7)N=C(C)N=C6C=C5OC)=O COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)COCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8k CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 COCCOCC=O O=C([R1])COCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC COCCOCC=O [R1]C(=O)COCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19.6/62.5 41.05 0 linker/linker_531.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2928 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(CCCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[7-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8l CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCC [R1]CCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.77/10.7 10.235 0 linker/linker_12.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2929 Q07889 Son of sevenless homolog 1 SOS1 O=C(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C1)[C@@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)CCCCCN(CC4)CCC4C5=CC6=C(N[C@H](C)C7=CC(N)=CC(C(F)(F)F)=C7)N=C(C)N=C6C=C5OC COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8m CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCC [R1]CCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.04/2.02 2.53 0 linker/linker_2.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2930 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C5)[C@@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(CCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)CC1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8n CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCCCCCC [R1]CCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.25/7.32 8.285 0 linker/linker_13.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2931 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C([C@@H]5CC[C@H](CC5)C(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C6)[C@@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)[C@H]2CC[C@H](C(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)CC1 (2S,4R)-1-[(2S)-2-[[4-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidine-1-carbonyl]cyclohexanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8o CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 O=CC1CCCCC1 O=C([R1])[C@H]1CC[C@H]([R2])CC1 CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC O=CC1CCCCC1 [R1]C(=O)[C@H]1CC[C@@H](CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3.24/8.52 5.88 0 linker/linker_2981.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2932 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(C5CN(CCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C6)[C@@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)C5)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)C2CN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C2)CC1 (2S,4R)-1-[(2S)-2-[3-[3-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidine-1-carbonyl]azetidin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8p CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCN(C1)CC1C=O O=C([R1])C1CN(C1)CC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCN1CC(C=O)C1 [R1]C(=O)C1CN(C1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.8/11.2 10.5 0 linker/linker_2982.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2933 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC(N[C@H](C)C2=CC(N)=CC(C(F)(F)F)=C2)=C3C(C=C(OC)C(C4CCN(C(C5CCN(CCC(N[C@@H](C(C)(C)C)C(N(C[C@H](O)C6)[C@@H]6C(N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)=O)=O)=O)CC5)=O)CC4)=C3)=N1 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1C1CCN(C(=O)C2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)CC1 (2S,4R)-1-[(2S)-2-[3-[4-[4-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]piperidine-1-carbonyl]piperidin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8q CC1=NC(N[C@@H](C2=CC(N)=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(C4CCN([R1])CC4)=C3)OC)=N1 CCN(CC1)CCC1C=O O=C([R1])C1CCN(CC1)CC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCC(CC1)C2=C(C=C3C(=C2)C(=NC(=N3)C)N[C@H](C)C4=CC(=CC(=C4)N)C(F)(F)F)OC CCN1CCC(C=O)CC1 [R1]C(=O)C1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 21.7/22.6 22.15 0 linker/linker_2983.sdf warhead/warhead_2967.sdf e3_ligand/e3_ligand_23.sdf 2934 O75530 Polycomb protein EED EED WAIT-1 O=C([C@H]1N(C([C@@H](NC(CCCNCC2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methylamino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7744 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CCCNC [R1]CNCCC[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC [R1]CNCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16 16.0 0 linker/linker_2740.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2935 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C([C@H]1N(C([C@@H](NC(CCCNCC2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N5C=NN=C45)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methylamino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7744 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CCCNC [R1]CNCCC[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CCCNC [R1]CNCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_2740.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2936 O75530 Polycomb protein EED EED WAIT-1 O[C@H]1CN(C([C@@H](NC(C2CC(NC(C3=CC=C(C4=CN=C(N5C4=NN=C5)NCC6=CC=CO6)C=C3)=O)C2)=O)C(C)(C)C)=O)[C@H](C(NCC7=CC=C(C8=C(N=CS8)C)C=C7)=O)C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7327 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 O=C([R1])NC1CC([R2])C1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]C(=O)NC1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 99 99.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2937 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O[C@H]1CN(C([C@@H](NC(C2CC(NC(C3=CC=C(C4=CN=C(N5C4=NN=C5)NCC6=CC=CO6)C=C3)=O)C2)=O)C(C)(C)C)=O)[C@H](C(NCC7=CC=C(C8=C(N=CS8)C)C=C7)=O)C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7327 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 O=C([R1])NC1CC([R2])C1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]C(=O)NC1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 70 70.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2938 O75530 Polycomb protein EED EED WAIT-1 O=C([C@H]1N(C([C@@H](NC(C2CC(NCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NCC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methylamino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7742 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CNC1CCC1 [R2]C1CC(NC[R1])C1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CNC1CCC1 [R1]CNC1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_2988.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2939 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C([C@H]1N(C([C@@H](NC(C2CC(NCC3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CC(NCC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methylamino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7742 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CNC1CCC1 [R2]C1CC(NC[R1])C1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CNC1CCC1 [R1]CNC1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_2988.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2940 O75530 Polycomb protein EED EED WAIT-1 O=C([C@H]1N(C([C@@H](NC(C2CN(C(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]pyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7701 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCC1 O=C([R1])N1CC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCC1 [R1]C(=O)N1CCC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 65 65.0 0 linker/linker_2990.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2941 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C([C@H]1N(C([C@@H](NC(C2CN(C(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]pyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7701 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCC1 O=C([R1])N1CC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCC1 [R1]C(=O)N1CCC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 24 24.0 0 linker/linker_2990.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2942 O75530 Polycomb protein EED EED WAIT-1 O=C(C1CCN(C(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7326 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCCC1 O=C([R1])N1CCC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCCC1 [R1]C(=O)N1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 64 64.0 0 linker/linker_2992.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2943 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1CCN(C(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7326 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCCC1 O=C([R1])N1CCC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCCC1 [R1]C(=O)N1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53 53.0 0 linker/linker_2992.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2944 O75530 Polycomb protein EED EED WAIT-1 O=C(C1CCN(S(=O)(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]sulfonyl-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7741 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=S(N1CCCCC1)=O O=S(N1CCC([R2])CC1)([R1])=O O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=[SH](=O)N1CCCCC1 [R1]S(=O)(=O)N1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 74 74.0 1 linker/linker_2994.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2945 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1CCN(S(=O)(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(S(=O)(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]sulfonyl-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7741 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=S(N1CCCCC1)=O O=S(N1CCC([R2])CC1)([R1])=O O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=[SH](=O)N1CCCCC1 [R1]S(=O)(=O)N1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 33 33.0 0 linker/linker_2994.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2946 O75530 Polycomb protein EED EED WAIT-1 O=C(C1CCN(CC2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(CC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7743 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CN1CCCCC1 [R1]CN1CCC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CN1CCCCC1 [R1]CN1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 22 22.0 0 linker/linker_2996.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2947 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1CCN(CC2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCN(CC4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 1-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]phenyl]methyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7743 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 CN1CCCCC1 [R1]CN1CCC([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 CN1CCCCC1 [R1]CN1CCC(CC1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 41 41.0 0 linker/linker_2996.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2948 O75530 Polycomb protein EED EED WAIT-1 O=C(C1(F)CCN(C(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 4-fluoro-1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7703 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCC(F)CC1 O=C([R1])N1CCC(F)([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCC(F)CC1 [R1]C(=O)N1CCC(CC1)([R2])F [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 18 18.0 0 linker/linker_2998.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2949 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1(F)CCN(C(C2=CC=C(C3=CN=C(NCC4=CC=CO4)N5C3=NN=C5)C=C2)=O)CC1)N[C@@H](C(C)(C)C)C(N6[C@H](C(NCC7=CC=C(C8=C(C)N=CS8)C=C7)=O)C[C@@H](O)C6)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 4-fluoro-1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-4-carboxamide UNC7703 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCC(F)CC1 O=C([R1])N1CCC(F)([R2])CC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCC(F)CC1 [R1]C(=O)N1CCC(CC1)([R2])F [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13 13.0 0 linker/linker_2998.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2950 O75530 Polycomb protein EED EED WAIT-1 O=C(C1=CC=C(C=C1)C1=CN=C(NCC2=CC=CO2)N2C1=NN=C2)N1CC(CCC1)C(=O)N[C@@H]([C@@](C)(C)C)C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-3-carboxamide UNC7702 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCCC1 O=C([R1])N1CC([R2])CCC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCCC1 [R1]C(=O)N1CCCC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 52 52.0 0 linker/linker_2992.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2951 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC=C(C=C1)C1=CN=C(NCC2=CC=CO2)N2C1=NN=C2)N1CC(CCC1)C(=O)N[C@@H]([C@@](C)(C)C)C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CCCN(C(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 1-[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]piperidine-3-carboxamide UNC7702 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CN1CCCCC1 O=C([R1])N1CC([R2])CCC1 O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CN1CCCCC1 [R1]C(=O)N1CCCC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 21 21.0 0 linker/linker_2992.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2952 O75530 Polycomb protein EED EED WAIT-1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7700 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 O=C(C[R1])N[C@@H](C1)C[C@@H]1C[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]CC(=O)N[C@H]1C[C@H](C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 111 111.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2953 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7700 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 O=C(C[R1])N[C@@H](C1)C[C@@H]1C[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]CC(=O)N[C@H]1C[C@H](C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 275 275.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2954 Q15022 Polycomb protein SUZ12 SUZ12 CHET9 JJAZ1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7700 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 O=C(C[R1])N[C@@H](C1)C[C@@H]1C[R2] O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]CC(=O)N[C@H]1C[C@H](C1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2955 O75530 Polycomb protein EED EED WAIT-1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7698 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 [R2][C@H]1C[C@@H](C1)NC([R1])=O O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]C(=O)N[C@H]1C[C@@H](C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67 67.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2956 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7698 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 [R2][C@H]1C[C@@H](C1)NC([R1])=O O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]C(=O)N[C@H]1C[C@@H](C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2957 Q15022 Polycomb protein SUZ12 SUZ12 CHET9 JJAZ1 O=C([C@H]1N(C([C@@H](NC([C@H]2C[C@H](NC(C3=CC=C(C4=CN=C(NCC5=CC=CO5)N6C4=NN=C6)C=C3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)[C@H]3C[C@H](NC(=O)C4=CC=C(C5=CN=C(NCC6=CC=CO6)N6C=NN=C56)C=C4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[3-[[4-[5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzoyl]amino]cyclobutanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide UNC7698 [R1]C1=CC=C(C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4)C=C1 O=CNC1CCC1 [R2][C@H]1C[C@@H](C1)NC([R1])=O O[C@H]1CN([C@@H](C1)C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4 O=CNC1CCC1 [R1]C(=O)N[C@H]1C[C@@H](C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 1 linker/linker_2986.sdf warhead/warhead_688.sdf e3_ligand/e3_ligand_27.sdf 2958 P10275 Androgen receptor AR DHTR NR3C4 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(COCCCCOC4=CC=C(C=C4)C5CCN(CC5)C6=NN7C(CC6)=NN=C7C(F)(F)F)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ITRI-90 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F COCCCC [R1]CCCCOC[R2] O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2120/5730/8670 6587/4134/5454 5506.666666666667 5391.666666666667 0 linker/linker_3008.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_27.sdf 2959 P10275 Androgen receptor V7 AR-V7 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(COCCCCOC4=CC=C(C=C4)C5CCN(CC5)C6=NN7C(CC6)=NN=C7C(F)(F)F)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ITRI-90 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F COCCCC [R1]CCCCOC[R2] O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4720/290 2505.0 0 linker/linker_3008.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_27.sdf 2960 P10275 Androgen receptor AR DHTR NR3C4 O=C([C@H]1N(C([C@@H](NC(COCCCCCCOC2=CC=C(C3CCN(C4=NN5C(CC4)=NN=C5C(F)(F)F)CC3)C=C2)=O)C(C)(C)C)=O)C[C@@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4S)-1-[(2S)-3,3-dimethyl-2-[[2-[6-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]hexoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ITRI-125 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F COCCCCCC [R1]CCCCCCOC[R2] O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCCCOC [R1]CCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6100/6640/9050 6360/6921/3057 7263.333333333333 5446.0 0 linker/linker_3010.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_27.sdf 2961 P10275 Androgen receptor V7 AR-V7 O=C([C@H]1N(C([C@@H](NC(COCCCCCCOC2=CC=C(C3CCN(C4=NN5C(CC4)=NN=C5C(F)(F)F)CC3)C=C2)=O)C(C)(C)C)=O)C[C@@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@H](O)CN3C(=O)[C@@H](NC(=O)COCCCCCCOC3=CC=C(C4CCN(C5=NN6C(=NN=C6C(F)(F)F)CC5)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4S)-1-[(2S)-3,3-dimethyl-2-[[2-[6-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]hexoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide ITRI-125 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F COCCCCCC [R1]CCCCCCOC[R2] O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCCCOC [R1]CCCCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1890/520 1205.0 0 linker/linker_3010.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_27.sdf 2962 P10275 Androgen receptor AR DHTR NR3C4 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(CC6)=NN=C7C(F)(F)F)CC5)C=C4 O=C1CCC(N2CC3=C(NC(=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(=NN=C7C(F)(F)F)CC6)CC5)C=C4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide ITRI-126 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F O=CCOCCCC O=C([R2])COCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCOCC=O [R1]CCCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3410/110/851 464/71/448 1457.0 327.6666666666667 0 linker/linker_3012.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_17.sdf 2963 P10275 Androgen receptor V7 AR-V7 O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(CC6)=NN=C7C(F)(F)F)CC5)C=C4 O=C1CCC(N2CC3=C(NC(=O)COCCCCOC4=CC=C(C5CCN(C6=NN7C(=NN=C7C(F)(F)F)CC6)CC5)C=C4)C=CC=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[4-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenoxy]butoxy]acetamide ITRI-126 FC(C1=NN=C2CCC(N3CCC(C4=CC=C(O[R1])C=C4)CC3)=NN21)(F)F O=CCOCCCC O=C([R2])COCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=CC=C(C=C1)C2CCN(CC2)C3=NN4C(=NN=C4C(F)(F)F)CC3 CCCCOCC=O [R1]CCCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 11/430 220.5 1 linker/linker_3012.sdf warhead/warhead_3008.sdf e3_ligand/e3_ligand_17.sdf 2964 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 CC1=NC(NC2=NC=C(C(NC3=C(C)C=CC=C3Cl)=O)S2)=CC(N(CC4)CCN4CCCNC(COC5=CC=C(C6CCC(NC6=O)=O)C=C5)=O)=N1 CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=C(C4CCC(=O)NC4=O)C=C3)CC2)=N1 N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide 1 SJ11646 CC1=C(NC(C2=CN=C(NC3=CC(N4CCN([R1])CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1 CCCNC(CO)=O O=C(CO[R2])NCCC[R1] O=C1CCC(C2=CC=C([R2])C=C2)C(N1)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 6 6.0 1 linker/linker_996.sdf warhead/warhead_3014.sdf e3_ligand/e3_ligand_1740.sdf 2965 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 ClC1=CC=CC(C)=C1NC(C(S2)=CN=C2NC3=NC(C)=NC(N4CCN(CC4)CCCNC(COC5=CC=C(C=C5)N(CCC(N6)=O)C6=O)=O)=C3)=O CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=C(N4CCC(=O)NC4=O)C=C3)CC2)=N1 N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[[2-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]amino]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide 2 SJ34739 CC1=C(NC(C2=CN=C(NC3=CC(N4CCN([R1])CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1 OCC(NCCC)=O O=C(CO[R2])NCCC[R1] O=C1N(CCC(N1)=O)C2=CC=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=CC=C(C=C1)N2CCC(=O)NC2=O 15 15.0 1 linker/linker_996.sdf warhead/warhead_3014.sdf e3_ligand/e3_ligand_1936.sdf 2966 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(NCCCN1CCN(CC1)C2=NC(C)=NC(NC3=NC=C(S3)C(NC4=C(C=CC=C4Cl)C)=O)=C2)COC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1 N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide 3 SJ42176 CC1=C(NC(C2=CN=C(NC3=CC(N4CCN([R1])CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1 O=C(NCCC)CO O=C(NCCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13 13.0 1 linker/linker_996.sdf warhead/warhead_3014.sdf e3_ligand/e3_ligand_16.sdf 2967 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCC(N4CCN(C5=CC=C(C(CC6)C(NC6=O)=O)C=C5)CC4)=O)CC3)=C2)S1)NC7=C(C)C=CC=C7Cl CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCC(=O)N3CCN(C4=CC=C(C5CCC(=O)NC5=O)C=C4)CC3)CC2)=N1 N-(2-chloro-6-methylphenyl)-2-[[6-[4-[4-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-4-oxobutyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide 4 SJ34769 CC1=C(NC(C2=CN=C(NC3=CC(N4CCN([R1])CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1 CCCC(N1CCNCC1)=O O=C(N1CCN([R2])CC1)CCC[R1] O=C1CCC(C2=CC=C([R2])C=C2)C(N1)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C CCCC(=O)N1CCNCC1 [R1]CCCC(=O)N1CCN(CC1)[R2] [R2]C1=CC=C(C=C1)C2CCC(=O)NC2=O 8 8.0 1 linker/linker_1993.sdf warhead/warhead_3014.sdf e3_ligand/e3_ligand_1740.sdf 2968 O15379 Histone deacetylase 3 HDAC3 HD3 RPD3-2 O=C(C1=CN=C(NC2=NC(C)=NC(N3CCN(CCCC(N4CCN(C5=CC=C(N(C(N6)=O)CCC6=O)C=C5)CC4)=O)CC3)=C2)S1)NC7=C(C)C=CC=C7Cl CC1=NC(NC2=NC=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)=CC(N2CCN(CCCC(=O)N3CCN(C4=CC=C(N5CCC(=O)NC5=O)C=C4)CC3)CC2)=N1 N-(2-chloro-6-methylphenyl)-2-[[6-[4-[4-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]-4-oxobutyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide 5 SJ43489 CC1=C(NC(C2=CN=C(NC3=CC(N4CCN([R1])CC4)=NC(C)=N3)S2)=O)C(Cl)=CC=C1 CCCC(N1CCNCC1)=O O=C(N1CCN([R2])CC1)CCC[R1] O=C1N(CCC(N1)=O)C2=CC=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C CCCC(=O)N1CCNCC1 [R1]CCCC(=O)N1CCN(CC1)[R2] [R2]C1=CC=C(C=C1)N2CCC(=O)NC2=O 0.8 0.8 1 linker/linker_1993.sdf warhead/warhead_3014.sdf e3_ligand/e3_ligand_1936.sdf 2969 Q16539 Mitogen-activated protein kinase 14 p38alpha MAPK14 CSBP O=C([C@H]1N(C([C@@H](NC(CCCCCNC(CCCN2N=NC(CCNC(C3=CC=C(C)C(N4C(C)=CC(OCC5=CC=C(F)C=C5F)=C(Br)C4=O)=C3)=O)=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC=C(C(=O)NCCC2=CN(CCCC(=O)NCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1N1C(C)=CC(OCC2=CC=C(F)C=C2F)=C(Br)C1=O (2S,4R)-1-[(2S)-2-[6-[4-[4-[2-[[3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-4-methylbenzoyl]amino]ethyl]triazol-1-yl]butanoylamino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide NR-11c O=C(N[R1])C1=CC=C(C)C(N2C(C)=CC(OCC3=CC=C(F)C=C3F)=C(Br)C2=O)=C1 CCCCCNC(CCCN1N=NC(CC)=C1)=O O=C(NCCCCC[R2])CCCN1N=NC(CC[R1])=C1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NC(=O)C1=CC(=C(C=C1)C)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C CCCCCNC(=O)CCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCCC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11.55 11.55 1 linker/linker_3019.sdf warhead/warhead_968.sdf e3_ligand/e3_ligand_23.sdf 2970 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(CC(NCCOCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCOCCNC(=O)CN1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide 941 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 CC(NCCOCC)=O O=C(NCCOCC[R2])C[R1] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCNC(C)=O [R1]CC(=O)NCCOCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 15 15.0 1 linker/linker_335.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2971 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(CC(NCCOCCOCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCOCCOCCNC(=O)CN1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide 929 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 CC(NCCOCCOCC)=O O=C(NCCOCCOCC[R2])C[R1] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 12 12.0 1 linker/linker_337.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2972 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(CC(NCCOCCOCCOCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCOCCOCCOCCNC(=O)CN1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperidine-4-carboxamide 943 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 CC(NCCOCCOCCOCC)=O O=C(NCCOCCOCCOCC[R2])C[R1] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 10 10.0 1 linker/linker_225.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2973 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(CC(NCCCCCCCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCCCCCCCNC(=O)CN1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[8-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]octylamino]-2-oxoethyl]piperidine-4-carboxamide 957 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 CC(NCCCCCCCC)=O O=C(NCCCCCCCC[R2])C[R1] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 102 102.0 1 linker/linker_1221.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2974 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(C(COCCOCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCOCCOCC(=O)N1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethoxy]acetyl]piperidine-4-carboxamide 960 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 O=CCOCCOCC O=C([R1])COCCOCC[R2] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCOCC=O [R1]C(=O)COCCOCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 28 28.0 1 linker/linker_250.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2975 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(C(COCCOCCOCCOC2=C(OC)C=C(/C=C/C(N(CCC=C3)C3=O)=O)C=C2OC)=O)CC1)NC4=NC=C(SCC5=NC=C(C(C)(C)C)O5)S4 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCOCCOCCOCC(=O)N1CCC(C(=O)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[2-[2-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidine-4-carboxamide 963 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 O=CCOCCOCCOCC O=C([R1])COCCOCCOCC[R2] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCOCCOCCOCC=O [R1]C(=O)COCCOCCOCC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 15 15.0 1 linker/linker_554.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2976 P50750 Cyclin-dependent kinase 9 CDK9 CDC2L4 TAK O=C(C1CCN(CC(N2CCN(CCOC3=C(OC)C=C(/C=C/C(N(CCC=C4)C4=O)=O)C=C3OC)CC2)=O)CC1)NC5=NC=C(SCC6=NC=C(C(C)(C)C)O6)S5 COC1=CC(/C=C/C(=O)N2CCC=CC2=O)=CC(OC)=C1OCCN1CCN(C(=O)CN2CCC(C(=O)NC3=NC=C(SCC4=NC=C(C(C)(C)C)O4)S3)CC2)CC1 N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-[2-[4-[2-[2,6-dimethoxy-4-[(E)-3-oxo-3-(6-oxo-2,3-dihydropyridin-1-yl)prop-1-enyl]phenoxy]ethyl]piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxamide 955 O=C(C1CCN([R1])CC1)NC2=NC=C(SCC3=NC=C(C(C)(C)C)O3)S2 CC(N1CCN(CC)CC1)=O O=C(N1CCN(CC[R2])CC1)C[R1] O=C1C=CCCN1C(/C=C/C2=CC(OC)=C(O[R2])C(OC)=C2)=O Keap1 Q14145 [R1]N1CCC(CC1)C(=O)NC2=NC=C(S2)SCC3=NC=C(O3)C(C)(C)C CCN1CCN(C(C)=O)CC1 [R1]CC(=O)N1CCN(CC1)CC[R2] [R2]OC1=C(C=C(C=C1OC)/C=C/C(=O)N2CCC=CC2=O)OC 9 9.0 1 linker/linker_1976.sdf warhead/warhead_676.sdf e3_ligand/e3_ligand_2976.sdf 2977 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@H](C2=CC(OCCCCCNC(C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C5=C(SC(C)=C5C)N6C(C)=NN=C36)=O)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(Cl)C=C7)C CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCOC1=NOC([C@@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(Cl)C=C3)C(C)C)=C1)N=C2C1=CC=C(Cl)C=C1 (2S,4R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-[(2S)-2-[3-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide 42 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 OCCCCCN [R1]NCCCCCO[R2] O=C([C@H]1N(C([C@H](C2=CC([R2])=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(Cl)C=C3)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCO [R1]NCCCCCO[R2] [R2]C1=NOC(=C1)[C@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C3=CC=C(C=C3)Cl)O 190 190.0 1 linker/linker_2492.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2983.sdf 2978 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](C2=CC(OCCCCCNC(C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C5=C(SC(C)=C5C)N6C(C)=NN=C36)=O)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCCCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 43 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 OCCCCCN [R1]NCCCCCO[R2] O=C([C@H]1N(C([C@@H](C2=CC([R2])=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCO [R1]NCCCCCO[R2] [R2]C1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)O 4 4.0 1 linker/linker_2492.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2984.sdf 2979 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(Cl)C=C3OCCOCCOCCOCCNC(C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C6=C(SC(C)=C6C)N7C(C)=NN=C47)=O)C CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(Cl)C=C2OCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C(C)C)=C1 (2S,4R)-N-[(1S)-1-[4-chloro-2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 44 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 OCCOCCOCCOCCN [R1]NCCOCCOCCOCCO[R2] O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(Cl)C=C3[R2])C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCOCCO [R1]NCCOCCOCCOCCO[R2] [R2]C1=C(C=CC(=C1)Cl)[C@H](C)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 210 210.0 1 linker/linker_2496.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2985.sdf 2980 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3OCCOCCOCCOCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C(C)=NN=C58)=O)C CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2OCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C(C)C)=C1 (2S,4R)-N-[(1S)-1-[2-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 45 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 OCCOCCOCCOCCN [R1]NCCOCCOCCOCCO[R2] O=C(N[C@@H](C)C1=CC=C(C=C1[R2])C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)C)C4=CC(C)=NO4)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCOCCO [R1]NCCOCCOCCOCCO[R2] [R2]C1=C(C=CC(=C1)C2=C(N=CS2)C)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 16 16.0 1 linker/linker_2496.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2986.sdf 2981 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@@H](C5=CC=C(Cl)C=C5)NC([C@H]6N(C([C@@H](C7=CC(C)=NO7)C(C)C)=O)C[C@H](O)C6)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]butylamino]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 46 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCCCN [R1]NCCCCN[R2] O=C([R2])C[C@@H](C1=CC=C(Cl)C=C1)NC([C@H]2N(C([C@@H](C3=CC(C)=NO3)C(C)C)=O)C[C@H](O)C2)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCN [R1]NCCCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 190 190.0 1 linker/linker_2485.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_317.sdf 2982 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@@H](C5=CC=C(Cl)C=C5)NC([C@H]6N(C([C@@H](C7=CC(C)=NO7)C(C)C)=O)C[C@H](O)C6)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 47 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCOCCOCCN [R1]NCCOCCOCCN[R2] O=C([R2])C[C@@H](C1=CC=C(Cl)C=C1)NC([C@H]2N(C([C@@H](C3=CC(C)=NO3)C(C)C)=O)C[C@H](O)C2)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCN [R1]NCCOCCOCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 1500 1500.0 0 linker/linker_2488.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_317.sdf 2983 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@@H](C5=CC=C(Cl)C=C5)NC([C@H]6N(C([C@@H](C7=CC(C)=NO7)C(C)C)=O)C[C@H](O)C6)=O CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(Cl)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 48 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] O=C([R2])C[C@@H](C1=CC=C(Cl)C=C1)NC([C@H]2N(C([C@@H](C3=CC(C)=NO3)C(C)C)=O)C[C@H](O)C2)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@@H](C3=CC(=NO3)C)C(C)C)O 1100 1100.0 0 linker/linker_201.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_317.sdf 2984 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@H](NC([C@H]5N(C([C@@H](C6=CC(C)=NO6)C(C)C)=O)C[C@H](O)C5)=O)C7=CC=C(C8=C(C)N=CS8)C=C7 CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 49 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCCCN [R1]NCCCCN[R2] O=C([R2])C[C@H](NC([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCN [R1]NCCCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 320 320.0 1 linker/linker_2485.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_47.sdf 2985 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@H](NC([C@H]5N(C([C@@H](C6=CC(C)=NO6)C(C)C)=O)C[C@H](O)C5)=O)C7=CC=C(C8=C(C)N=CS8)C=C7 CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 50 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCOCCOCCN [R1]NCCOCCOCCN[R2] O=C([R2])C[C@H](NC([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCN [R1]NCCOCCOCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 570 570.0 1 linker/linker_2488.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_47.sdf 2986 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOCCOCCOCCNC(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14)=O)C[C@H](NC([C@H]5N(C([C@@H](C6=CC(C)=NO6)C(C)C)=O)C[C@H](O)C5)=O)C7=CC=C(C8=C(C)N=CS8)C=C7 CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](CC(=O)NCCOCCOCCOCCNC(=O)C[C@@H]2N=C(C3=CC=C(Cl)C=C3)C3=C(SC(C)=C3C)N3C(C)=NN=C23)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-3-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 51 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] O=C([R2])C[C@H](NC([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCOCCOCCOCCN [R1]NCCOCCOCCOCCN[R2] [R2]C(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 560 560.0 1 linker/linker_201.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_47.sdf 2987 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C#CCOCCOCCOCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C(C)=NN=C58)=O)N=CS4)C=C3)C CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C#CCOCCOCCOCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-[4-[4-[3-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-1,3-thiazol-5-yl]phenyl]ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 52 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 C#CCOCCOCCOCCN [R1]NCCOCCOCCOCC#C[R2] O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C([R2])N=CS4)C=C3)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C C#CCOCCOCCOCCN [R1]NCCOCCOCCOCC#C[R2] [R2]C1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 16 16.0 1 linker/linker_3037.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2993.sdf 2988 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C#CCOCCOCCOCCOCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C(C)=NN=C58)=O)N=CS4)C=C3)C CC1=NOC([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C#CCOCCOCCOCCOCCNC(=O)C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C5=C(SC(C)=C5C)N5C(C)=NN=C45)N=CS3)C=C2)C(C)C)=C1 (2S,4R)-N-[(1S)-1-[4-[4-[3-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]-1,3-thiazol-5-yl]phenyl]ethyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 53 O=C([R1])C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C(C)=NN=C14 C#CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC#C[R2] O=C([C@H]1N(C([C@@H](C2=CC(C)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C([R2])N=CS4)C=C3)C VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C C#CCOCCOCCOCCOCCN [R1]NCCOCCOCCOCCOCC#C[R2] [R2]C1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 40 40.0 1 linker/linker_3038.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2993.sdf 2989 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC1CCN(C(COC2=CC=CC(N(C(N3)=O)CCC3=O)=C2C)=O)CC1)C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1CCN(C(=O)COC3=CC=CC(N4CCC(=O)NC4=O)=C3C)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[1-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-2-methylphenoxy]acetyl]piperidin-4-yl]acetamide 13 CC1=C(C)C2=C(S1)N3C(C)=NN=C3[C@H](CC([R1])=O)N=C2C4=CC=C(Cl)C=C4 NC1CCN(C(CO)=O)CC1 O=C(N1CCC(N[R1])CC1)CO[R2] CC1=C(N(C(N2)=O)CCC2=O)C=CC=C1[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NC1CCN(C(=O)CO)CC1 [R1]NC1CCN(CC1)C(=O)CO[R2] [R2]C1=C(C(=CC=C1)N2CCC(=O)NC2=O)C 0.022 0.022 1 linker/linker_2138.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_2995.sdf 2990 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 25 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCC#C [R1]NCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCN [R1]NCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1759.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2991 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(NCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 25 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCC#C [R1]NCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCN [R1]NCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1759.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2992 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(NCCC#CC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 22 AK-020 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCC#C [R1]NCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCN [R1]NCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1759.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2993 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 26 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 230 230.0 1 linker/linker_1760.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2994 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 26 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2995 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(NCCCC#CC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 23 AK-021 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_1760.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2996 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 27 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCC#C [R1]NCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCN [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_399.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2997 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 27 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCC#C [R1]NCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCN [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_399.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2998 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(NCCCCC#CC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hex-5-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 24 AK-022 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCCCC#C [R1]NCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCN [R1]NCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 800 800.0 1 linker/linker_399.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 2999 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 28 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCCC#C [R1]NCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCCN [R1]NCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1100 1100.0 0 linker/linker_3049.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3000 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 28 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCCC#C [R1]NCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCCN [R1]NCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_3049.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3001 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(NCCCCCC#CC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 25 AK-023 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCCCCC#C [R1]NCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCCN [R1]NCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1200 1200.0 0 linker/linker_3049.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3002 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 29 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCCCC#C [R1]NCCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCCCN [R1]NCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1400 1400.0 0 linker/linker_3052.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3003 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 29 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NCCCCCCC#C [R1]NCCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCCCCN [R1]NCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_3052.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3004 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 30 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O CNCCCC#C [R1]CNCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCNC [R1]CNCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 190 190.0 1 linker/linker_2737.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3005 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Br)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 30 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O CNCCCC#C [R1]CNCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCNC [R1]CNCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_2737.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3006 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(N(CCCC#CC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)C)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 29 AK-027 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 380 380.0 1 linker/linker_2737.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3007 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N2CCC(NC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)CC2)=O)C6=CC=C(Br)C=C6)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 31 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O NC1CCNCC1 [R1]N1CCC(CC1)N[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O NC1CCNCC1 [R1]N1CCC(CC1)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1108.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3008 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N2CCC(C#CC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)CC2)=O)C6=CC=C(Br)C=C6)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(C#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]piperidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 32 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O C#CC1CCNCC1 [R1]N1CCC(CC1)C#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CC1CCNCC1 [R1]N1CCC(CC1)C#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_323.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3009 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(N5CCC(C#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)CC5)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CCC(C#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]ethynyl]piperidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 26 AK-024 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F C#CC1CCNCC1 [R1]N1CCC(C#C[R2])CC1 O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CC1CCNCC1 [R1]N1CCC(CC1)C#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_323.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3010 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N2CC(CCC#CC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)C2)=O)C6=CC=C(Br)C=C6)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]azetidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 33 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O C#CCCC1CNC1 [R1]N1CC(C1)CCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCC1CNC1 [R1]N1CC(C1)CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4200 4200.0 0 linker/linker_3060.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3011 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(N5CC(CCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)C5)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]azetidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 28 AK-026 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F C#CCCC1CNC1 [R1]N1CC(CCC#C[R2])C1 O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCC1CNC1 [R1]N1CC(C1)CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_3060.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3012 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N2CC(CC#CC3=CC=CC4=C3CN(C5CCC(NC5=O)=O)C4=O)C2)=O)C6=CC=C(Br)C=C6)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynyl]azetidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 34 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Br)CCC([R1])=O)=O C#CCC1CNC1 [R1]N1CC(C1)CC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCC1CNC1 [R1]N1CC(C1)CC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_3062.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3013 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC(N5CC(CC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)C5)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)N1CC(CC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C1)C1=CC=C(Br)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-bromophenyl)-[3-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]prop-2-ynyl]azetidin-1-yl]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 27 AK-025 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(Br)C=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F C#CCC1CNC1 [R1]N1CC(CC#C[R2])C1 O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Br)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCC1CNC1 [R1]N1CC(C1)CC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_3062.sdf warhead/warhead_3040.sdf e3_ligand/e3_ligand_18.sdf 3014 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=CC=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-phenylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 35 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=CC=C4)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=CC=C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3064.sdf e3_ligand/e3_ligand_18.sdf 3015 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(F)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(F)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-(4-fluorophenyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 36 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)F)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)F)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3065.sdf e3_ligand/e3_ligand_18.sdf 3016 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(Cl)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Cl)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-chlorophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 37 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)Cl)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)Cl)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2100 2100.0 0 linker/linker_1760.sdf warhead/warhead_3066.sdf e3_ligand/e3_ligand_18.sdf 3017 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(F)=C(Cl)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(Cl)C(F)=C1 [[2-[[(2S)-1-[(2S)-2-[(4-chloro-3-fluorophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 38 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC(F)=C(C=C4)Cl)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC(=C(C=C1)Cl)F)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3067.sdf e3_ligand/e3_ligand_18.sdf 3018 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(I)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(I)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-(4-iodophenyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 39 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)I)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)I)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 530 530.0 1 linker/linker_1760.sdf warhead/warhead_3068.sdf e3_ligand/e3_ligand_18.sdf 3019 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C#N)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C#N)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-cyanophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 40 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C#N)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C#N)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3069.sdf e3_ligand/e3_ligand_18.sdf 3020 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=CC(C#N)=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC(C#N)=C1 [[2-[[(2S)-1-[(2S)-2-[(3-cyanophenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 41 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=CC(C#N)=C4)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=CC(=C1)C#N)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3070.sdf e3_ligand/e3_ligand_18.sdf 3021 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C(F)(F)F)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C(F)(F)F)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-[4-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 42 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C(F)(F)F)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C(F)(F)F)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 2000 2000.0 0 linker/linker_1760.sdf warhead/warhead_3071.sdf e3_ligand/e3_ligand_18.sdf 3022 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=CC(C(F)(F)F)=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC(C(F)(F)F)=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-[3-(trifluoromethyl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 43 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=CC(C(F)(F)F)=C4)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3072.sdf e3_ligand/e3_ligand_18.sdf 3023 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC1=CC=C(N(CCC(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2=CC3=CC(C(F)(F)P(=O)(O)O)=CC=C3S2)C(C)(C)C)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-(4-methylphenyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 44 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 310 310.0 1 linker/linker_1760.sdf warhead/warhead_3073.sdf e3_ligand/e3_ligand_18.sdf 3024 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C(C)(C)C)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)C1=CC=C(N(CCC(=O)NCCCC#CC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)C2=CC3=CC(C(F)(F)P(=O)(O)O)=CC=C3S2)C(C)(C)C)C=C1 [[2-[[(2S)-1-[(2S)-2-[(4-tert-butylphenyl)-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 45 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C(C)(C)C)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C(C)(C)C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3074.sdf e3_ligand/e3_ligand_18.sdf 3025 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(S(=O)(C)=O)C=C5)=O)[C@H](C(C)(C)C)NC(C6=CC(C=C(C(F)(P(O)(O)=O)F)C=C7)=C7S6)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(S(C)(=O)=O)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-(4-methylsulfonylphenyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 46 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C(C)(C)C)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C(C)(C)C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)C3=CC4=C(S3)C=CC(=C4)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3074.sdf e3_ligand/e3_ligand_18.sdf 3026 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=CC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=CC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-(4-thiophen-2-ylphenyl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 47 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=CC=CS5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=CC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 210 210.0 1 linker/linker_1760.sdf warhead/warhead_3076.sdf e3_ligand/e3_ligand_18.sdf 3027 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 48 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 130 130.0 1 linker/linker_1760.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3028 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(CCC(NCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O)C7=CC=C(C8=NC=CS8)C=C7)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 30 AK-028 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 400 400.0 1 linker/linker_1760.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3029 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CS6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[1-benzothiophen-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 49 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)SC=C5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=C2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 180 180.0 1 linker/linker_1760.sdf warhead/warhead_3079.sdf e3_ligand/e3_ligand_18.sdf 3030 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(N=CS6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=NC2=C1 [[2-[[(2S)-1-[(2S)-2-[1,3-benzothiazol-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 50 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)SC=N5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=N2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 450 450.0 1 linker/linker_1760.sdf warhead/warhead_3080.sdf e3_ligand/e3_ligand_18.sdf 3031 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(SC=N5)C5=C4)CCC(NCCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2SC=NC2=C1 [[2-[[(2S)-1-[(2S)-2-[1,3-benzothiazol-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 32 AK-030 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(SC=N5)C5=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=N2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1400 1400.0 0 linker/linker_1760.sdf warhead/warhead_3080.sdf e3_ligand/e3_ligand_18.sdf 3032 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CO6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2OC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[1-benzofuran-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 51 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)OC=C5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)OC=C2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 330 330.0 1 linker/linker_1760.sdf warhead/warhead_3082.sdf e3_ligand/e3_ligand_18.sdf 3033 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CC=C6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2C=CC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-naphthalen-2-ylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 52 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)C=CC=C5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=CC=CC=C2C=C1)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 210 210.0 1 linker/linker_1760.sdf warhead/warhead_3083.sdf e3_ligand/e3_ligand_18.sdf 3034 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(CCC(NCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O)C7=CC=C8C=CC=CC8=C7)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2C=CC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]-naphthalen-2-ylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 34 AK-032 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(CCC([R1])=O)C4=CC=C5C=CC=CC5=C4)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=CC=CC=C2C=C1)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 800 800.0 1 linker/linker_1760.sdf warhead/warhead_3083.sdf e3_ligand/e3_ligand_18.sdf 3035 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(SC=N6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C2N=CSC2=C1 [[2-[[(2S)-1-[(2S)-2-[1,3-benzothiazol-6-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 53 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)N=CS5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)N=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3085.sdf e3_ligand/e3_ligand_18.sdf 3036 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(NCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=CC6=C5C=CS6)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCC(=O)NCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=CC2=C1C=CS2 [[2-[[(2S)-1-[(2S)-2-[1-benzothiophen-4-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 54 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=CC5=C4C=CS5)CCC([R1])=O)=O NCCCC#C [R1]NCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=C2C=CSC2=CC=C1)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCN [R1]NCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1760.sdf warhead/warhead_3086.sdf e3_ligand/e3_ligand_18.sdf 3037 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CS6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[1-benzothiophen-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 55 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)SC=C5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=C2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 130 130.0 1 linker/linker_2737.sdf warhead/warhead_3079.sdf e3_ligand/e3_ligand_18.sdf 3038 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(N=CS6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=NC2=C1 [[2-[[(2S)-1-[(2S)-2-[1,3-benzothiazol-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 56 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)SC=N5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=N2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 330 330.0 1 linker/linker_2737.sdf warhead/warhead_3080.sdf e3_ligand/e3_ligand_18.sdf 3039 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(SC=N5)C5=C4)CCC(N(CCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)C)=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2SC=NC2=C1 [[2-[[(2S)-1-[(2S)-2-[1,3-benzothiazol-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 33 AK-031 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(C4=CC=C(SC=N5)C5=C4)CCC([R1])=O)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)SC=N2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_2737.sdf warhead/warhead_3080.sdf e3_ligand/e3_ligand_18.sdf 3040 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CO6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2OC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[1-benzofuran-5-yl-[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 57 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)OC=C5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=C(C=C1)OC=C2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 200 200.0 1 linker/linker_2737.sdf warhead/warhead_3082.sdf e3_ligand/e3_ligand_18.sdf 3041 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC(C=CC=C6)=C6C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2C=CC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-naphthalen-2-ylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 58 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC5=C(C=C4)C=CC=C5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=CC=CC=C2C=C1)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 130 130.0 1 linker/linker_2737.sdf warhead/warhead_3083.sdf e3_ligand/e3_ligand_18.sdf 3042 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(CCC(N(CCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)C)=O)C7=CC=C8C=CC=CC8=C7)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C2C=CC=CC2=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-naphthalen-2-ylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 35 AK-033 FC(C1=CC=C2C(C=C(C(N[C@@H](C(C)(C)C)C(N3[C@H](C(N(CCC([R1])=O)C4=CC=C5C=CC=CC5=C4)=O)CCC3)=O)=O)S2)=C1)(P(O)(O)=O)F CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC2=CC=CC=C2C=C1)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 200 200.0 1 linker/linker_2737.sdf warhead/warhead_3083.sdf e3_ligand/e3_ligand_18.sdf 3043 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCCCCCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CC(C)(C)[C@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(=O)N1CCC[C@H]1C(=O)N(CCCCCCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]non-8-ynyl-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 59 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N([R1])C4=CC=C(C=C4)C5=NC=CS5)=O CCCCCCCC#C [R1]CCCCCCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]N(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCCCCC [R1]CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_1277.sdf warhead/warhead_3093.sdf e3_ligand/e3_ligand_18.sdf 3044 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid AK-2292 AK-2292 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 80 360/180/350 80.0 296.6666666666667 1 linker/linker_2737.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3045 P42226 Signal transducer and activator of transcription 6 STAT6 O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid AK-2292 AK-2292 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >5000 >15000/>15000/>15000 5000.0 15000.0 0 linker/linker_2737.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3046 P42229 Signal transducer and activator of transcription 5A STAT5 STAT5A O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid AK-2292 AK-2292 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 160/200 180.0 1 linker/linker_2737.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3047 P51692 Signal transducer and activator of transcription 5B STAT5B O=C(N(CCC1)[C@@H]1C(N(CCC(N(C)CCCC#CC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C5=CC=C(C6=NC=CS6)C=C5)=O)[C@H](C(C)(C)C)NC(C7=CC(C=C(C(F)(P(O)(O)=O)F)C=C8)=C8S7)=O CN(CCCC#CC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC2=CC(C(F)(F)P(=O)(O)O)=CC=C2S1)C(C)(C)C)C1=CC=C(C2=NC=CS2)C=C1 [[2-[[(2S)-1-[(2S)-2-[[3-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl-methylamino]-3-oxopropyl]-[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-1-benzothiophen-5-yl]-difluoromethyl]phosphonic acid 1 AK-2292 O=C([C@@H](NC(C1=CC2=C(S1)C=CC(C(P(O)(O)=O)(F)F)=C2)=O)C(C)(C)C)N3CCC[C@H]3C(N(C4=CC=C(C=C4)C5=NC=CS5)CCC([R1])=O)=O CNCCCC#C CN([R1])CCCC#C[R2] O=C(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])NC1=O CRBN Q96SW2 [R1]C(=O)CCN(C1=CC=C(C=C1)C2=NC=CS2)C(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)(C)C)NC(=O)C4=CC5=C(S4)C=CC(=C5)C(F)(F)P(=O)(O)O C#CCCCNC [R1]N(C)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 110/200 155.0 1 linker/linker_2737.sdf warhead/warhead_3077.sdf e3_ligand/e3_ligand_18.sdf 3048 P00918 Carbonic anhydrase 2 CA2 CAC O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(NCCCOCCCCOCCCNC(C4=CC=C(S(N)(=O)=O)C=C4)=O)=C31)=O NS(=O)(=O)C1=CC=C(C(=O)NCCCOCCCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]butoxy]propyl]-4-sulfamoylbenzamide 4 O=C([R1])C1=CC=C(S(=O)(N)=O)C=C1 NCCCOCCCCOCCC [R1]NCCCOCCCCOCCC[R2] O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(N[R2])=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)S(=O)(=O)N CCCOCCCCOCCCN [R1]NCCCOCCCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5 5.0 1 linker/linker_2644.sdf warhead/warhead_3098.sdf e3_ligand/e3_ligand_7.sdf 3049 P00918 Carbonic anhydrase 2 CA2 CAC O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(NCCCOCCOCCOCCCNC(C4=CC=C(S(N)(=O)=O)C=C4)=O)=C31)=O NS(=O)(=O)C1=CC=C(C(=O)NCCCOCCOCCOCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]-4-sulfamoylbenzamide 5 O=C([R1])C1=CC=C(S(=O)(N)=O)C=C1 NCCCOCCOCCOCCC [R1]NCCCOCCOCCOCCC[R2] O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(N[R2])=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)S(=O)(=O)N CCCOCCOCCOCCCN [R1]NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 245 245.0 1 linker/linker_3099.sdf warhead/warhead_3098.sdf e3_ligand/e3_ligand_7.sdf 3050 P00918 Carbonic anhydrase 2 CA2 CAC O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(NCCCCCCCCCCCCNC(C4=CC=C(S(N)(=O)=O)C=C4)=O)=C31)=O NS(=O)(=O)C1=CC=C(C(=O)NCCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 N-[12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]dodecyl]-4-sulfamoylbenzamide 11 O=C([R1])C1=CC=C(S(=O)(N)=O)C=C1 NCCCCCCCCCCCC [R1]NCCCCCCCCCCCC[R2] O=C(N1C2C(NC(CC2)=O)=O)C3=CC=CC(N[R2])=C3C1=O CRBN Q96SW2 [R1]C(=O)C1=CC=C(C=C1)S(=O)(=O)N CCCCCCCCCCCCN [R1]NCCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.5 0.5 1 linker/linker_459.sdf warhead/warhead_3098.sdf e3_ligand/e3_ligand_7.sdf 3051 Q06187 Bruton's tyrosine kinase BTK BPK ATK N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN(CC5)C(CNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=N2)=C1)=O)=C\C(C)(C)C CC(C)(C)/C=C(\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1 (E)-2-cyano-N-[3-[2-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]-4,4-dimethylpent-2-enamide PS-RC-1 PS-RC-1 N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN([R1])CC5)=N2)=C1)=O)=C\C(C)(C)C O=CC O=C([R1])C[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)/C(=C/C(C)(C)C)/C#N)OC=C4 CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >10000/12 1000.0 5006.0 0 linker/linker_521.sdf warhead/warhead_3101.sdf e3_ligand/e3_ligand_7.sdf 3052 Q06187 Bruton's tyrosine kinase BTK BPK ATK N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN(CC5)C(CCOCCNC(CNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=O)=N2)=C1)=O)=C\C(C)(C)C CC(C)(C)/C=C(\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1 (E)-2-cyano-N-[3-[2-[4-[4-[3-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]propanoyl]piperazin-1-yl]anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]-4,4-dimethylpent-2-enamide PS-RC-2 PS-RC-2 N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN([R1])CC5)=N2)=C1)=O)=C\C(C)(C)C O=C(C)NCCOCCC=O O=C(C[R2])NCCOCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)/C(=C/C(C)(C)C)/C#N)OC=C4 CC(=O)NCCOCCC=O [R1]C(=O)CCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >10000/584 1000.0 5292.0 0 linker/linker_3102.sdf warhead/warhead_3101.sdf e3_ligand/e3_ligand_7.sdf 3053 Q06187 Bruton's tyrosine kinase BTK BPK ATK N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN(CC5)C(CCOCCOCCNC(CNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=O)=N2)=C1)=O)=C\C(C)(C)C CC(C)(C)/C=C(\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1 (E)-2-cyano-N-[3-[2-[4-[4-[3-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]-4,4-dimethylpent-2-enamide PS-RC-3 PS-RC-3 N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN([R1])CC5)=N2)=C1)=O)=C\C(C)(C)C O=C(C)NCCOCCOCCC=O O=C(C[R2])NCCOCCOCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)/C(=C/C(C)(C)C)/C#N)OC=C4 CC(=O)NCCOCCOCCC=O [R1]C(=O)CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >10000/>10000 1000.0 10000.0 0 linker/linker_677.sdf warhead/warhead_3101.sdf e3_ligand/e3_ligand_7.sdf 3054 Q06187 Bruton's tyrosine kinase BTK BPK ATK N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN(CC5)C(CCOCCOCCOCCNC(CNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=O)=N2)=C1)=O)=C\C(C)(C)C CC(C)(C)/C=C(\C#N)C(=O)NC1=CC=CC(OC2=NC(NC3=CC=C(N4CCN(C(=O)CCOCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)=NC3=C2OC=C3)=C1 (E)-2-cyano-N-[3-[2-[4-[4-[3-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]-4,4-dimethylpent-2-enamide PS-RC-4 PS-RC-4 N#C/C(C(NC1=CC=CC(OC2=C3OC=CC3=NC(NC4=CC=C(C=C4)N5CCN([R1])CC5)=N2)=C1)=O)=C\C(C)(C)C O=C(C)NCCOCCOCCOCCC=O O=C(C[R2])NCCOCCOCCOCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)/C(=C/C(C)(C)C)/C#N)OC=C4 CC(=O)NCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >1000 >10000/7800 1000.0 8900.0 0 linker/linker_609.sdf warhead/warhead_3101.sdf e3_ligand/e3_ligand_7.sdf 3055 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5a FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC C [R1]C[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_1800.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3056 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5b FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCC [R1]CCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_10.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3057 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5c FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCC [R1]CCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_2.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3058 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5d FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCC [R1]CCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_13.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3059 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5e FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCC [R1]CCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_34.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3060 P30530 Tyrosine-protein kinase receptor UFO AXL UFO FC1=C(OC2=C(C=C(OC)C(OCCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=C6)C6=NC=N2)C=CC(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=C(OC)C=C34)C(F)=C1)=C(C)N2C 6-ethyl-N-[3-fluoro-4-[7-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecoxy]-6-methoxyquinazolin-4-yl]oxyphenyl]-1,2-dimethyl-4-oxoquinoline-3-carboxamide 5f FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_36.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_27.sdf 3061 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6a FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CC=O O=C([R2])C[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CC=O [R1]CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_521.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3062 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-5-oxopentoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6b FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCC=O O=C([R2])CCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_443.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3063 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6c FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC=O O=C([R2])CCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_255.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3064 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6d FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_257.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3065 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCCCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6e FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_258.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3066 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCCCCCC(NC2=CC=CC(C(N3C4CCC(NC4=O)=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-12-oxododecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6f FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCCCCC=O [R1]CCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_3116.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_7.sdf 3067 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6g FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC O=C(C)N O=C(C[R1])N[R2] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CC(N)=O [R1]CC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1261.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3068 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-5-oxopentoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6h FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1831.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3069 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6i FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC(N)=O O=C(N[R2])CCCCC[R1] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 40.0 1 linker/linker_1263.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3070 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-8-oxooctoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6j FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCC(N)=O O=C(N[R2])CCCCCCC[R1] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCC(N)=O [R1]CCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 108 108.0 1 linker/linker_1837.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3071 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCCCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-10-oxodecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6k FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCC[R1] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCCC(N)=O [R1]CCCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1838.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3072 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCCCCCCCC(NC2=CC3=C(C(N(C4CCC(NC4=O)=O)C3=O)=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[12-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-12-oxododecoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6l FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCCCC[R1] O=C(C1=C2C=C([R2])C=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCCCCCCCC(N)=O [R1]CCCCCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_3122.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_616.sdf 3073 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC=CC3=C2CN(C4CCC(NC4=O)=O)C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6m FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC(N)=O O=C(N[R2])CCCCC[R1] [R2]C1=CC=CC2=C1CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1263.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_18.sdf 3074 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC(CN(C3CCC(NC3=O)=O)C4=O)=C4C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6n FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC(N)=O O=C(N[R2])CCCCC[R1] [R2]C1=CC(CN2C3CCC(NC3=O)=O)=C(C=C1)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 5 10/5/>5000 5.0 1671.6666666666667 1 linker/linker_1263.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_21.sdf 3075 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC3=C(CN(C4CCC(NC4=O)=O)C3=O)C=C2)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6o FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC(N)=O O=C(N[R2])CCCCC[R1] [R2]C1=CC2=C(C=C1)CN(C2=O)C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 >10000 10000.0 0 linker/linker_1263.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_22.sdf 3076 P30530 Tyrosine-protein kinase receptor UFO AXL UFO COC1=C(OCCCCCC(NC2=CC=CC(CN3C4CCC(NC4=O)=O)=C2C3=O)=O)C=C(N=CN=C5OC6=CC=C(NC(C7=C(C)N(C)C8=C(C=C(CC)C=C8)C7=O)=O)C=C6F)C5=C1 CCC1=CC=C2C(=C1)C(=O)C(C(=O)NC1=CC=C(OC3=NC=NC4=CC(OCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6)=C(OC)C=C34)C(F)=C1)=C(C)N2C N-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]amino]-6-oxohexoxy]-6-methoxyquinazolin-4-yl]oxy-3-fluorophenyl]-6-ethyl-1,2-dimethyl-4-oxoquinoline-3-carboxamide 6p FC1=C(C=CC(NC(C2=C(N(C3=C(C2=O)C=C(C=C3)CC)C)C)=O)=C1)OC4=C5C=C(C(O[R1])=CC5=NC=N4)OC CCCCCC(N)=O O=C(N[R2])CCCCC[R1] [R2]C1=CC=CC(CN2C3CCC(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2OC3=C(C=C(C=C3)NC(=O)C4=C(N(C5=C(C4=O)C=C(C=C5)CC)C)C)F)OC CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_1263.sdf warhead/warhead_3105.sdf e3_ligand/e3_ligand_1358.sdf 3077 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCC(N3N=CC(C4=CC(O[C@@H](C5=C(Cl)C=CC(F)=C5Cl)C)=C(N)N=C4)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC6=CC=C(C7=C(C)N=CS7)C=C6 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCC(N4C=C(C5=CN=C(N)C(O[C@H](C)C6=C(Cl)C=CC(F)=C6Cl)=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide S55 PT-29 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCC [R1]CCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1163 1163.0 0 linker/linker_13.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_27.sdf 3078 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCN2CCC(N3N=CC(C4=CC(O[C@@H](C5=C(Cl)C=CC(F)=C5Cl)C)=C(N)N=C4)=C3)CC2)=O)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3CCC(N4C=C(C5=CN=C(N)C(O[C@H](C)C6=C(Cl)C=CC(F)=C6Cl)=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide S53 0164 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 COCCOCCOCC [R1]CCOCCOCCOC[R2] O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1198 1198.0 0 linker/linker_168.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_23.sdf 3079 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(C(C3)CN3CCCCCCCOC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=C7)=C7O[C@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(C(=O)C4CN(CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[7-[3-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidine-1-carbonyl]azetidin-1-yl]heptoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S34 03-114 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CC(C1)CN1CCCCCCCO O=C([R1])C(C1)CN1CCCCCCCO[R2] [R2]C1=CC=CC(C2=O)=C1C(N2C(CCC(N3)=O)C3=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl O=CC1CN(CCCCCCCO)C1 [R1]C(=O)C1CN(C1)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4720 4720.0 0 linker/linker_3129.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_16.sdf 3080 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@@H](NC(C2CN(C(CCCCCN3CCC(N4N=CC(C5=CC(O[C@@H](C6=C(Cl)C=CC(F)=C6Cl)C)=C(N)N=C5)=C4)CC3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(C(=O)CCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[6-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]hexanoyl]azetidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide S47 03-121 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCC(N1CCC1)=O O=C(N1CC([R2])C1)CCCCC[R1] O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCC(=O)N1CCC1 [R1]CCCCCC(=O)N1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8234 8234.0 0 linker/linker_3130.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_23.sdf 3081 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@@H](NC(C2CN(C(CCCCCCCN3CCC(N4N=CC(C5=CC(O[C@@H](C6=C(Cl)C=CC(F)=C6Cl)C)=C(N)N=C5)=C4)CC3)=O)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(C(=O)CCCCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]octanoyl]azetidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide S48 03-124 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCCC(N1CCC1)=O O=C(N1CC([R2])C1)CCCCCCC[R1] O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCCC(=O)N1CCC1 [R1]CCCCCCCC(=O)N1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5759 5759.0 0 linker/linker_3131.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_23.sdf 3082 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@@H](NC(C2CN(CCCCCCCCN3CCC(N4N=CC(C5=CC(O[C@@H](C6=C(Cl)C=CC(F)=C6Cl)C)=C(N)N=C5)=C4)CC3)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(CCCCCCCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]octyl]azetidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide S49 03-144 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCCCN1CCC1 [R1]CCCCCCCCN1CC([R2])C1 O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCCCN1CCC1 [R1]CCCCCCCCN1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7702 7702.0 0 linker/linker_3132.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_23.sdf 3083 P08581 Hepatocyte growth factor receptor c-Met MET O=C([C@H]1N(C([C@@H](NC(C2CN(CCOCCOCCN3CCC(N4N=CC(C5=CC(O[C@@H](C6=C(Cl)C=CC(F)=C6Cl)C)=C(N)N=C5)=C4)CC3)C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3CN(CCOCCOCCN4CCC(N5C=C(C6=CN=C(N)C(O[C@H](C)C7=C(Cl)C=CC(F)=C7Cl)=C6)C=N5)CC4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[1-[2-[2-[2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]azetidine-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide S50 03-147 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCOCCOCCN1CCC1 [R1]CCOCCOCCN1CC([R2])C1 O=C(N[C@@H](C)C1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCOCCOCCN1CCC1 [R1]CCOCCOCCN1CC(C1)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3655 3655.0 0 linker/linker_3133.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_23.sdf 3084 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(CCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4CN5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 3-[7-[[1-[5-[4-[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-5-oxopentyl]azetidin-3-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione S21 03-191 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCCCCN1CC(C1)CN O=C([R1])CCCCN1CC(C1)CN[R2] O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl NCC1CN(CCCCC=O)C1 [R1]C(=O)CCCCN1CC(C1)CN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 304 304.0 1 linker/linker_3134.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_18.sdf 3085 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(CCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4CN5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 3-[7-[[1-[6-[4-[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexyl]azetidin-3-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione S22 03-192 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCCCCCN1CC(C1)CN O=C([R1])CCCCCN1CC(C1)CN[R2] O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl NCC1CN(CCCCCC=O)C1 [R1]C(=O)CCCCCN1CC(C1)CN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 5818 5818.0 0 linker/linker_3135.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_18.sdf 3086 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(CCCCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4CN5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 3-[7-[[1-[8-[4-[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-8-oxooctyl]azetidin-3-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione S24 03-193 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCCCCCCCN1CC(C1)CN O=C([R1])CCCCCCCN1CC(C1)CN[R2] O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl NCC1CN(CCCCCCCC=O)C1 [R1]C(=O)CCCCCCCN1CC(C1)CN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1590 1590.0 0 linker/linker_3136.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_18.sdf 3087 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(CCCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4CN5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCN4CC(CNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 3-[7-[[1-[7-[4-[4-[6-amino-5-[(1S)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-7-oxoheptyl]azetidin-3-yl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione S23 03-199 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCCCCCCN1CC(C1)CN O=C([R1])CCCCCCN1CC(C1)CN[R2] O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl NCC1CN(CCCCCCC=O)C1 [R1]C(=O)CCCCCCN1CC(C1)CN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4519 4519.0 0 linker/linker_3137.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_18.sdf 3088 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(CCCCCCCOC3=CC=CC(C4=O)=C3C(N4C(C5=O)CCC(N5)=O)=O)=O)=C6)=C6O[C@H](C)C7=C(C=CC(F)=C7Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(C(=O)CCCCCCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-8-oxooctoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S29 PRO-6E C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCCCCCCCO O=C([R1])CCCCCCCO[R2] [R2]C1=CC=CC(C2=O)=C1C(N2C(C3=O)CCC(N3)=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl O=CCCCCCCCO [R1]C(=O)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 203 347 203.0 347.0 1 linker/linker_2131.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_16.sdf 3089 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2C(COCCOCCOCCOC3=CC=CC(C4=O)=C3C(N4C(C5=O)CCC(N5)=O)=O)=O)=C6)=C6O[C@H](C)C7=C(C=CC(F)=C7Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(C(=O)COCCOCCOCCOC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[2-[2-[2-[2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S41 PT-21 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 O=CCOCCOCCOCCO O=C([R1])COCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl O=CCOCCOCCOCCO [R1]C(=O)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3128 3128.0 0 linker/linker_714.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_16.sdf 3090 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2CCOCCOCCN3CC(C3)CNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(CCOCCOCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[2-[2-[2-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S16 22-130 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCOCCOCCN1CC(C1)C [R1]CCOCCOCCN1CC(C1)C[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCOCCOCCN1CC(C)C1 [R1]CCOCCOCCN1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1848 1848.0 0 linker/linker_3140.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3091 P08581 Hepatocyte growth factor receptor c-Met MET O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCC4CN(C(CCCCN5CCC(N6N=CC(C7=CC(O[C@@H](C8=C(Cl)C=CC(F)=C8Cl)C)=C(N)N=C7)=C6)CC5)=O)C4)=O C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[5-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]pentanoyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S8 22-137 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CC1CN(C(CCCC)=O)C1 O=C(N1CC(C[R2])C1)CCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCC(=O)N1CC(C)C1 [R1]CCCCC(=O)N1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4596 4596.0 0 linker/linker_3141.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3092 P08581 Hepatocyte growth factor receptor c-Met MET O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCC4CN(C(CCCCCN5CCC(N6N=CC(C7=CC(O[C@@H](C8=C(Cl)C=CC(F)=C8Cl)C)=C(N)N=C7)=C6)CC5)=O)C4)=O C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[6-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]hexanoyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S9 22-143 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CC1CN(C(CCCCC)=O)C1 O=C(N1CC(C[R2])C1)CCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCC(=O)N1CC(C)C1 [R1]CCCCCC(=O)N1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3864 3864.0 0 linker/linker_3142.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3093 P08581 Hepatocyte growth factor receptor c-Met MET O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCC4CN(C(CCCCCCN5CCC(N6N=CC(C7=CC(O[C@@H](C8=C(Cl)C=CC(F)=C8Cl)C)=C(N)N=C7)=C6)CC5)=O)C4)=O C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[7-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]heptanoyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S10 22-146 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CC1CN(C(CCCCCC)=O)C1 O=C(N1CC(C[R2])C1)CCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCC(=O)N1CC(C)C1 [R1]CCCCCCC(=O)N1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1566 1566.0 0 linker/linker_3143.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3094 P08581 Hepatocyte growth factor receptor c-Met MET O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCC4CN(C(CCCCCCCN5CCC(N6N=CC(C7=CC(O[C@@H](C8=C(Cl)C=CC(F)=C8Cl)C)=C(N)N=C7)=C6)CC5)=O)C4)=O C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCC(=O)N4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]octanoyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S11 22-147 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CC1CN(C(CCCCCCC)=O)C1 O=C(N1CC(C[R2])C1)CCCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCCC(=O)N1CC(C)C1 [R1]CCCCCCCC(=O)N1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1153 1153.0 0 linker/linker_3144.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3095 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2CCCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[6-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]hexyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S13 22-151 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCN1CC(C1)C [R1]CCCCCCN1CC(C1)C[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCN1CC(C)C1 [R1]CCCCCCN1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4814 4814.0 0 linker/linker_3145.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3096 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2CCCCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[7-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]heptyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S14 22-152 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCCN1CC(C1)C [R1]CCCCCCCN1CC(C1)C[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCCN1CC(C)C1 [R1]CCCCCCCN1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4599 4599.0 0 linker/linker_3146.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3097 P08581 Hepatocyte growth factor receptor c-Met MET NC(N=CC(C(C=N1)=CN1C(CC2)CCN2CCCCCCCCN3CC(C3)CNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=C7)=C7O[C@H](C)C8=C(C=CC(F)=C8Cl)Cl C[C@@H](OC1=CC(C2=CN(C3CCN(CCCCCCCCN4CC(CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)N=C2)=CN=C1N)C1=C(Cl)C=CC(F)=C1Cl 4-[[1-[8-[4-[4-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]octyl]azetidin-3-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione S15 22-153 C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=C(N)N=CC(C3=CN(C4CCN([R1])CC4)N=C3)=C2 CCCCCCCCN1CC(C1)C [R1]CCCCCCCCN1CC(C1)C[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=C(C=N2)C3=CC(=C(N=C3)N)O[C@H](C)C4=C(C=CC(=C4Cl)F)Cl CCCCCCCCN1CC(C)C1 [R1]CCCCCCCCN1CC(C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1034 1034.0 0 linker/linker_3147.sdf warhead/warhead_3127.sdf e3_ligand/e3_ligand_7.sdf 3098 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C([C@H]1N(C([C@@H](NCCOCCOCCN2N=NC(CNC3=CC=CC(CC(C4=O)=C(C)C5=C(O4)C=C(OC6=NC=CC=N6)C=C5)=C3F)=C2)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCN3C=C(CNC4=CC=CC(CC5=C(C)C6=CC=C(OC7=NC=CC=N7)C=C6OC5=O)=C4F)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]methyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P3a FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CC(N=N1)=CN1CCOCCOCC [R1]CC(N=N1)=CN1CCOCCOCC[R2] O=C([C@H]1N(C([C@@H](N[R2])C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20 20.0 0 linker/linker_213.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_3104.sdf 3099 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C1C(N2C(C3=C(C2=O)C=CC=C3NC(CCC(NCCCCC(NC4=CC=CC(CC5=C(C6=C(C=C(C=C6)OC7=NC=CC=N7)OC5=O)C)=C4F)=O)=O)=O)=O)CCC(N1)=O CC1=C(CC2=CC=CC(NC(=O)CCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12 N'-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[5-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-5-oxopentyl]butanediamide P5b FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCNC(CCC=O)=O O=C([R1])CCCCNC(CCC([R2])=O)=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCNC(=O)CCC=O [R1]C(=O)CCCCNC(=O)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3149.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_7.sdf 3100 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C1C(N2C(C3=C(C2=O)C=CC=C3NC(CCC(NCCCCCCC(NC4=CC=CC(CC5=C(C6=C(C=C(C=C6)OC7=NC=CC=N7)OC5=O)C)=C4F)=O)=O)=O)=O)CCC(N1)=O CC1=C(CC2=CC=CC(NC(=O)CCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12 N'-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[7-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-7-oxoheptyl]butanediamide P5d FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCCCNC(CCC=O)=O O=C([R1])CCCCCCNC(CCC([R2])=O)=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCCCNC(=O)CCC=O [R1]C(=O)CCCCCCNC(=O)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45 45.0 0 linker/linker_3150.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_7.sdf 3101 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C1C(N2C(C3=C(C2=O)C=CC=C3NC(CCC(NCCCCCCCC(NC4=CC=CC(CC5=C(C6=C(C=C(C=C6)OC7=NC=CC=N7)OC5=O)C)=C4F)=O)=O)=O)=O)CCC(N1)=O CC1=C(CC2=CC=CC(NC(=O)CCCCCCCNC(=O)CCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C2F)C(=O)OC2=CC(OC3=NC=CC=N3)=CC=C12 N'-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-[8-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-8-oxooctyl]butanediamide P5e FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCCCCNC(CCC=O)=O O=C([R1])CCCCCCCNC(CCC([R2])=O)=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C O=CCCCCCCCNC(=O)CCC=O [R1]C(=O)CCCCCCCNC(=O)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30 30.0 0 linker/linker_3151.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_7.sdf 3102 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[4-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-4-oxobutyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6a FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCC=O)=O O=C(NCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCC=O [R1]C(=O)CCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20 20.0 0 linker/linker_3152.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3103 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NCCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[5-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-5-oxopentyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6b FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCCC=O)=O O=C(NCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCC=O [R1]C(=O)CCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 300/2800 27300/2800 85 1550.0 85.0 15050.0 0 linker/linker_3153.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3104 P36507 Mitogen-activated protein kinase kinase 2 MEK2 MAP2K2 PRKMK2 O=C(NCCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[5-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-5-oxopentyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6b FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCCC=O)=O O=C(NCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCC=O [R1]C(=O)CCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 200 200.0 1 linker/linker_3153.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3105 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NCCCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[6-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-6-oxohexyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6c FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCCCC=O)=O O=C(NCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCC=O [R1]C(=O)CCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 72 72.0 1 linker/linker_3155.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3106 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NCCCCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[7-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-7-oxoheptyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6d FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCCCCC=O)=O O=C(NCCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCCC=O [R1]C(=O)CCCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 70 70.0 1 linker/linker_3156.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3107 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(NCCCCCCCC(NC1=CC=CC(CC(C2=O)=C(C)C3=C(O2)C=C(OC4=NC=CC=N4)C=C3)=C1F)=O)CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C)=O)C[C@@H](O)C5)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3F)C(C)(C)C)C=C2)SC=N1 N-[8-[2-fluoro-3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-8-oxooctyl]-N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]butanediamide P6e FC1=C(C=CC=C1N[R1])CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(NCCCCCCCC=O)=O O=C(NCCCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCCCC=O [R1]C(=O)CCCCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 78 78.0 1 linker/linker_3157.sdf warhead/warhead_3148.sdf e3_ligand/e3_ligand_23.sdf 3108 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCC(NCCCC(NC4=CC=CC(CC(C5=O)=C(C)C6=C(O5)C=C(OC7=NC=CC=N7)C=C6)=C4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-4-oxobutyl]butanediamide P7a [R1]NC1=CC=CC(CC2=C(C)C3=C(OC2=O)C=C(OC4=NC=CC=N4)C=C3)=C1 CCC(NCCCC=O)=O O=C(NCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCC=O [R1]C(=O)CCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5 5.0 0 linker/linker_3152.sdf warhead/warhead_3158.sdf e3_ligand/e3_ligand_23.sdf 3109 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCC(NCCCCCCC(NC4=CC=CC(CC(C5=O)=C(C)C6=C(O5)C=C(OC7=NC=CC=N7)C=C6)=C4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[7-[3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-7-oxoheptyl]butanediamide P7b [R1]NC1=CC=CC(CC2=C(C)C3=C(OC2=O)C=C(OC4=NC=CC=N4)C=C3)=C1 CCC(NCCCCCCC=O)=O O=C(NCCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCCC=O [R1]C(=O)CCCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5 5.0 0 linker/linker_3156.sdf warhead/warhead_3158.sdf e3_ligand/e3_ligand_23.sdf 3110 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCC(NCCCCCCCCCCC(NC4=CC=CC(CC(C5=O)=C(C)C6=C(O5)C=C(OC7=NC=CC=N7)C=C6)=C4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[11-[3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-11-oxoundecyl]butanediamide P7c [R1]NC1=CC=CC(CC2=C(C)C3=C(OC2=O)C=C(OC4=NC=CC=N4)C=C3)=C1 CCC(NCCCCCCCCCCC=O)=O O=C(NCCCCCCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5 5.0 0 linker/linker_3160.sdf warhead/warhead_3158.sdf e3_ligand/e3_ligand_23.sdf 3111 Q02750 Mitogen-activated protein kinase kinase 1 MEK1 MAP2K1 PRKMK1 O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O)CCC(NCCCCCCCCCCCC(NC4=CC=CC(CC(C5=O)=C(C)C6=C(O5)C=C(OC7=NC=CC=N7)C=C6)=C4)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NCCCCCCCCCCCC(=O)NC3=CC=CC(CC4=C(C)C5=CC=C(OC6=NC=CC=N6)C=C5OC4=O)=C3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[12-[3-[(4-methyl-2-oxo-7-pyrimidin-2-yloxychromen-3-yl)methyl]anilino]-12-oxododecyl]butanediamide P7d [R1]NC1=CC=CC(CC2=C(C)C3=C(OC2=O)C=C(OC4=NC=CC=N4)C=C3)=C1 CCC(NCCCCCCCCCCCC=O)=O O=C(NCCCCCCCCCCCC([R1])=O)CC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=CC=CC(=C1)CC2=C(C3=C(C=C(C=C3)OC4=NC=CC=N4)OC2=O)C CCC(=O)NCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <5 5.0 0 linker/linker_3161.sdf warhead/warhead_3158.sdf e3_ligand/e3_ligand_23.sdf 3112 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCC(N(CC(NC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-6-oxo-N-(2-sulfanylethyl)hexanamide Y2-1 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC=O)C(CCCCC=O)=O SCCN(CC([R2])=O)C(CCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C O=CCCCCC(=O)N(CC=O)CCS [R1]C(=O)CCCCC(=O)N(CCS)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4310/8730/1060 4700.0 0 linker/linker_3162.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3113 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCC(N(CC(NC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 8-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-8-oxo-N-(2-sulfanylethyl)octanamide Y2-2 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC=O)C(CCCCCCC=O)=O SCCN(CC([R2])=O)C(CCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C O=CCCCCCCC(=O)N(CC=O)CCS [R1]C(=O)CCCCCCC(=O)N(CCS)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10710/>50000/2350 21020.0 0 linker/linker_3163.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3114 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCCCC(N(CC(NC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 10-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-10-oxo-N-(2-sulfanylethyl)decanamide Y2-3 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC=O)C(CCCCCCCCC=O)=O SCCN(CC([R2])=O)C(CCCCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C O=CCCCCCCCCC(=O)N(CC=O)CCS [R1]C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25100/>50000/4460 26520.0 0 linker/linker_3164.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3115 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCCCCCC(N(CC(NC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 12-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethyl]-12-oxo-N-(2-sulfanylethyl)dodecanamide Y2-4 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC=O)C(CCCCCCCCCCC=O)=O SCCN(CC([R2])=O)C(CCCCCCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C O=CCCCCCCCCCCC(=O)N(CC=O)CCS [R1]C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >50000/>50000/31150 43716.66666666666 0 linker/linker_3165.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3116 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCC(N(CC(NCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 4-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]-4-oxo-N-(2-sulfanylethyl)butanamide Y5-1 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC(NCC)=O)C(CCC=O)=O SCCN(CC(NCC[R2])=O)C(CCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(=O)CN(CCS)C(=O)CCC=O [R1]C(=O)CCC(=O)N(CCS)CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12930/10980/22780 15563.333333333334 0 linker/linker_3166.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3117 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCC(N(CC(NCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 6-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]-6-oxo-N-(2-sulfanylethyl)hexanamide Y5-2 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC(NCC)=O)C(CCCCC=O)=O SCCN(CC(NCC[R2])=O)C(CCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(=O)CN(CCS)C(=O)CCCCC=O [R1]C(=O)CCCCC(=O)N(CCS)CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13500/4070/770 6113.333333333333 0 linker/linker_3167.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3118 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCC(N(CC(NCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 8-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]-8-oxo-N-(2-sulfanylethyl)octanamide Y5-3 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC(NCC)=O)C(CCCCCCC=O)=O SCCN(CC(NCC[R2])=O)C(CCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(=O)CN(CCS)C(=O)CCCCCCC=O [R1]C(=O)CCCCCCC(=O)N(CCS)CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2830 4730/1760/90 2830.0 2193.333333333333 0 linker/linker_3168.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3119 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCCCC(N(CC(NCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 10-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]-10-oxo-N-(2-sulfanylethyl)decanamide Y5-4 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC(NCC)=O)C(CCCCCCCCC=O)=O SCCN(CC(NCC[R2])=O)C(CCCCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(=O)CN(CCS)C(=O)CCCCCCCCC=O [R1]C(=O)CCCCCCCCC(=O)N(CCS)CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10290/3150/920 4786.666666666667 0 linker/linker_3169.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3120 Q9UM73 Anaplastic lymphoma kinase ALK CD246 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN(C(CCCCCCCCCCC(N(CC(NCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)CCS)=O)=O)CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C CC1=CC(NC2=NC=C(Cl)C(NC3=CC=CC=C3S(=O)(=O)C(C)C)=N2)=C(OC(C)C)C=C1C1CCN(C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 12-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-methyl-5-propan-2-yloxyphenyl]piperidin-1-yl]-N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]-12-oxo-N-(2-sulfanylethyl)dodecanamide Y5-5 CC(S(C1=C(NC2=C(C=NC(NC3=C(C=C(C(C)=C3)C4CCN([R1])CC4)OC(C)C)=N2)Cl)C=CC=C1)(=O)=O)C SCCN(CC(NCC)=O)C(CCCCCCCCCCC=O)=O SCCN(CC(NCC[R2])=O)C(CCCCCCCCCCC([R1])=O)=O O=C(C1=C2C(N[R2])=CC=C1)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC(=C(C=C2C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl)OC(C)C CCNC(=O)CN(CCS)C(=O)CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)N(CCS)CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21520/16970/3470 13986.666666666666 0 linker/linker_3170.sdf warhead/warhead_211.sdf e3_ligand/e3_ligand_7.sdf 3121 P01116 GTPase Kras G12C KRAS G12C O=C(NCCCC(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)=O)C4=CC=C(N5C(N=C(N6[C@@H](C)CN(C(C=C)=O)CC6)C7=C5C=C(C8=CC=CC=C8Cl)C(Cl)=C7)=O)C(C(C)C)=C4 C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1 4-[6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxoquinazolin-1-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]-3-propan-2-ylbenzamide I-1 O=C([R1])C1=CC=C(N2C(N=C(N3[C@@H](C)CN(C(C=C)=O)CC3)C4=C2C=C(C5=CC=CC=C5Cl)C(Cl)=C4)=O)C(C(C)C)=C1 NCCCC=O O=C([R2])CCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC(=C(C=C1)N2C3=CC(=C(C=C3C(=NC2=O)N4CCN(C[C@@H]4C)C(=O)C=C)Cl)C5=CC=CC=C5Cl)C(C)C NCCCC=O [R1]NCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 22740/17100 19920.0 0 linker/linker_2657.sdf warhead/warhead_3171.sdf e3_ligand/e3_ligand_17.sdf 3122 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCCCNC(C2=CC=C(N3C(N=C(N4[C@@H](C)CN(C(C=C)=O)CC4)C5=C3C=C(C6=CC=CC=C6Cl)C(Cl)=C5)=O)C(C(C)C)=C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[6-[[4-[6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxoquinazolin-1-yl]-3-propan-2-ylbenzoyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide II-1 O=C([R1])C1=CC=C(N2C(N=C(N3[C@@H](C)CN(C(C=C)=O)CC3)C4=C2C=C(C5=CC=CC=C5Cl)C(Cl)=C4)=O)C(C(C)C)=C1 CCCCCN [R1]NCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)C1=CC(=C(C=C1)N2C3=CC(=C(C=C3C(=NC2=O)N4CCN(C[C@@H]4C)C(=O)C=C)Cl)C5=CC=CC=C5Cl)C(C)C CCCCCN [R1]NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 14180/24220 19200.0 0 linker/linker_188.sdf warhead/warhead_3171.sdf e3_ligand/e3_ligand_27.sdf 3123 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCNC(C2=CC=C(N3C(N=C(N4[C@@H](C)CN(C(C=C)=O)CC4)C5=C3C=C(C6=CC=CC=C6Cl)C(Cl)=C5)=O)C(C(C)C)=C2)=O)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[[4-[6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxoquinazolin-1-yl]-3-propan-2-ylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide III-2 O=C([R1])C1=CC=C(N2C(N=C(N3[C@@H](C)CN(C(C=C)=O)CC3)C4=C2C=C(C5=CC=CC=C5Cl)C(Cl)=C4)=O)C(C(C)C)=C1 NCCOCCOCCOCCOC [R1]NCCOCCOCCOCCOC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)C1=CC(=C(C=C1)N2C3=CC(=C(C=C3C(=NC2=O)N4CCN(C[C@@H]4C)C(=O)C=C)Cl)C5=CC=CC=C5Cl)C(C)C COCCOCCOCCOCCN [R1]NCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11090/17860 14475.0 0 linker/linker_305.sdf warhead/warhead_3171.sdf e3_ligand/e3_ligand_27.sdf 3124 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCN2N=NC(CNC(C3=CC=C(N4C(N=C(N5[C@@H](C)CN(C(C=C)=O)CC5)C6=C4C=C(C7=CC=CC=C7Cl)C(Cl)=C6)=O)C(C(C)C)=C3)=O)=C2)=O)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=CC=C(C(=O)NCC4=CN(CCOCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)C=C3C(C)C)C3=CC(C4=CC=CC=C4Cl)=C(Cl)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[4-[[[4-[6-chloro-7-(2-chlorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxoquinazolin-1-yl]-3-propan-2-ylbenzoyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide IV-1 O=C([R1])C1=CC=C(N2C(N=C(N3[C@@H](C)CN(C(C=C)=O)CC3)C4=C2C=C(C5=CC=CC=C5Cl)C(Cl)=C4)=O)C(C(C)C)=C1 COCCOCCOCCOCCN1N=NC(CN)=C1 [R1]NCC1=CN(CCOCCOCCOCCOC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)C1=CC(=C(C=C1)N2C3=CC(=C(C=C3C(=NC2=O)N4CCN(C[C@@H]4C)C(=O)C=C)Cl)C5=CC=CC=C5Cl)C(C)C COCCOCCOCCOCCN1C=C(CN)N=N1 [R1]NCC1=CN(N=N1)CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 17070/24320 20695.0 0 linker/linker_3174.sdf warhead/warhead_3171.sdf e3_ligand/e3_ligand_27.sdf 3125 Q8TBX8 Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma PIP4K2C PIP5K2C O=C(CCC(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O)NC4=CC=C(C=C4)C(NC5=CC=CC(NC6=NC=NC(C7=CNC8=C7C=CC=C8)=C6)=C5)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCC(=O)NC3=CC=C(C(=O)NC4=CC=CC(NC5=CC(C6=C[NH]C7=CC=CC=C67)=NC=N5)=C4)C=C3)C(C)(C)C)C=C2)SC=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[3-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]phenyl]carbamoyl]phenyl]butanediamide 11 O=C([R1])NC1=CC=C(C(NC2=CC=CC(NC3=NC=NC(C4=CNC5=C4C=CC=C5)=C3)=C2)=O)C=C1 CC [R1]CC[R2] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CNC5=CC=CC=C54 CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/21/53/77/72/79 50.333333333333336 0 linker/linker_9.sdf warhead/warhead_3175.sdf e3_ligand/e3_ligand_23.sdf 3126 Q8TBX8 Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma PIP4K2C PIP5K2C O=C(NC1=CC=CC(NC2=NC=NC(C3=CNC4=C3C=CC=C4)=C2)=C1)C5=CC=C(C(NCCCCCOC6=CC(C7=C(C)N=CS7)=CC=C6[C@@H](NC([C@H]8N(C([C@@H](NC(C)=O)C(C)(C)C)=O)C[C@H](O)C8)=O)C)=O)C=C5 CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1OCCCCCNC(=O)C1=CC=C(C(=O)NC2=CC=CC(NC3=CC(C4=C[NH]C5=CC=CC=C45)=NC=N3)=C2)C=C1)C(C)(C)C 4-N-[5-[2-[(1S)-1-[[(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]ethyl]-5-(4-methyl-1,3-thiazol-5-yl)phenoxy]pentyl]-1-N-[3-[[6-(1H-indol-3-yl)pyrimidin-4-yl]amino]phenyl]benzene-1,4-dicarboxamide 17 JWZ-1-80 O=C([R1])NC1=CC=CC(NC2=NC=NC(C3=CNC4=C3C=CC=C4)=C2)=C1 CCCCCNC(C1=CC=CC=C1)=O O=C(NCCCCC[R2])C1=CC=C([R1])C=C1 CC1=C(C2=CC=C([C@@H](NC([C@H]3N(C([C@@H](NC(C)=O)C(C)(C)C)=O)C[C@H](O)C3)=O)C)C(O[R2])=C2)SC=N1 VHL P40337 [R1]C(=O)NC1=CC=CC(=C1)NC2=NC=NC(=C2)C3=CNC4=CC=CC=C43 CCCCCNC(=O)C1=CC=CC=C1 [R1]C1=CC=C(C=C1)C(=O)NCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O 0/12/60/57/64/48 40.16666666666666 0 linker/linker_3176.sdf warhead/warhead_3176.sdf e3_ligand/e3_ligand_3132.sdf 3127 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCC1=CC=C(CNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)C=C1)CCCCNC(C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCC1=CC=C(CNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]-N-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]phenyl]methyl]pentanamide 8a O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCC1=CC=C(CN)C=C1)CCCCN O=C(NCC1=CC=C(CN[R2])C=C1)CCCCN[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCC(=O)NCC1=CC=C(CN)C=C1 [R1]NCCCCC(=O)NCC1=CC=C(C=C1)CN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 131/26 0/0/0 0.0 78.5 0 linker/linker_3177.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3128 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCCNC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]pentanamide 8b O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCN)CCCCN O=C(NCCN[R2])CCCCN[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCC(=O)NCCN [R1]NCCCCC(=O)NCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3/27 7/19/30 18.666666666666668 15.0 0 linker/linker_3178.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3129 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCOC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCC(=O)NCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]-N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]pentanamide 8c O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCO)CCCCN O=C(NCCO[R2])CCCCN[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCC(=O)NCCO [R1]NCCCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 163/18 10/0/0 3.333333333333333 90.5 0 linker/linker_3179.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3130 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(NC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]butyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]benzamide 8d O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCN)C1=CC=C(N)C=C1 O=C(NCCCCN[R1])C1=CC=C(N[R2])C=C1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)C1=CC=C(N)C=C1 [R1]NCCCCNC(=O)C1=CC=C(C=C1)N[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 602/128 0/0/0 0.0 365.0 0 linker/linker_1782.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3131 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[3-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 13a O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCN)C1=CC=C(CO)C=C1 O=C(NCCCN[R1])C1=CC=C(CO[R2])C=C1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 302/28 0/0/16 5.333333333333333 165.0 0 linker/linker_3181.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3132 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]butyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 13b O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCN)C1=CC=C(CO)C=C1 O=C(NCCCCN[R1])C1=CC=C(CO[R2])C=C1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 297/25 0/3/13 5.333333333333333 161.0 0 linker/linker_3182.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3133 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[5-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]pentyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 13c O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCCN)C1=CC=C(CO)C=C1 O=C(NCCCCCN[R1])C1=CC=C(CO[R2])C=C1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCCCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 110/8 13/14/25 17.333333333333332 59.0 0 linker/linker_3183.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3134 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)C1=CC=C(COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]benzamide 13d O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCN)C1=CC=C(CO)C=C1 O=C(NCCN[R1])C1=CC=C(CO[R2])C=C1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 544/48 0/0/0 0.0 296.0 0 linker/linker_3184.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3135 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC(=O)C1=CC=C(COC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzamide 13e O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCN)C1=CC=C(CO)C=C1 O=C(NCCN[R1])C1=CC=C(CO[R2])C=C1 O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 182/18 0/0/0 0.0 100.0 0 linker/linker_3184.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_18.sdf 3136 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NCCCCNC(C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1)=O)C5=CC=C(COC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)C=C5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC(=O)C1=CC=C(COC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)C=C1)N=C2C1=CC=C(Cl)C=C1 N-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]butyl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzamide 13f O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCN)C1=CC=C(CO)C=C1 O=C(NCCCCN[R1])C1=CC=C(CO[R2])C=C1 O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCNC(=O)C1=CC=C(CO)C=C1 [R1]NCCCCNC(=O)C1=CC=C(C=C1)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 139/10 7/2/41 16.666666666666668 74.5 0 linker/linker_3182.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_18.sdf 3137 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[7-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]heptanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B1 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCC [R1]CCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 96 10000.0 96.0 0 linker/linker_12.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3138 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CN=CC=C2)=O)C=C1)(N3CCN(CCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B2 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCCC [R1]CCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >100 5.9 100.0 5.9 1 linker/linker_13.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3139 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CN=CC=C2)=O)C=C1)(N3CCN(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[9-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]nonanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B3 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCCCC [R1]CCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <0.17 1.5 0.17 1.5 1 linker/linker_33.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3140 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CN=CC=C2)=O)C=C1)(N3CCN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[10-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]decanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B4 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCCCCC [R1]CCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.5 10 1.5 10.0 1 linker/linker_34.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3141 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[11-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]undecanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B5 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCCCCCC [R1]CCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C <4.6 30 4.6 30.0 1 linker/linker_35.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3142 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[12-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]dodecanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B6 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2.4 30 2.4 30.0 1 linker/linker_36.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3143 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B7 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCOC [R1]CCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >100 5512 100.0 5512.0 1 linker/linker_197.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3144 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B8 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCOCCOC [R1]CCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >100 1227 100.0 1227.0 1 linker/linker_243.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3145 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B9 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 93 56 93.0 56.0 1 linker/linker_168.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3146 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B10 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 19 173 19.0 173.0 1 linker/linker_205.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3147 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCOCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N4C[C@H](O)C[C@H]4C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)=O)=O)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3CCN(S(=O)(=O)C4=CC=C(NC(=O)NCC5=CC=CN=C5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B11 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 22 133 22.0 133.0 1 linker/linker_207.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3148 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCC4=CN(CCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)N=N4)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[4-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethyl]triazol-1-yl]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B12 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCC1=CN(N=N1)CCOC [R1]CCC1=CN(N=N1)CCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCC1=CN(CCOC)N=N1 [R1]CCC1=CN(N=N1)CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50-500 433 433.0 1 linker/linker_3198.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3149 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCC4=CN(CCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)N=N4)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[4-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B13 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCC1=CN(N=N1)CCOCCOC [R1]CCC1=CN(N=N1)CCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCC1=CN(CCOCCOC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50-500 737 737.0 1 linker/linker_3199.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3150 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCC4=CN(CCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)N=N4)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[4-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B14 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCC1=CN(N=N1)CCOCCOCCOC [R1]CCC1=CN(N=N1)CCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCC1=CN(CCOCCOCCOC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50-500 487 487.0 1 linker/linker_3200.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3151 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCC4=CN(CCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)N=N4)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[4-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B15 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCC1=CN(N=N1)CCOCCOCCOCCOC [R1]CCC1=CN(N=N1)CCOCCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCC1=CN(CCOCCOCCOCCOC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50-500 401 401.0 1 linker/linker_3201.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3152 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=S(C1=CC=C(NC(NCC2=CC=CN=C2)=O)C=C1)(N3CCN(CCC4=CN(CCOCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)N=N4)CC3)=O CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCN3C=C(CCN4CCN(S(=O)(=O)C5=CC=C(NC(=O)NCC6=CC=CN=C6)C=C5)CC4)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[2-[4-[2-[4-[4-(pyridin-3-ylmethylcarbamoylamino)phenyl]sulfonylpiperazin-1-yl]ethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide B16 O=C(NCC1=CN=CC=C1)NC2=CC=C(C=C2)S(=O)(N3CCN([R1])CC3)=O CCC1=CN(N=N1)CCOCCOCCOCCOCCOC [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CN=CC=C3 CCC1=CN(CCOCCOCCOCCOCCOC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 50-500 477 477.0 1 linker/linker_3202.sdf warhead/warhead_3187.sdf e3_ligand/e3_ligand_23.sdf 3153 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1C(N2C(C(C=CC(OCCCCCNC(CO[C@H]3CC[C@]4(C)C5C[C@@H](O)C6[C@@]([C@]5(C)CCC4C3(C)C)(C)CCC6[C@@](CCCC(C)(OC)C)(O)C)=O)=C7)=C7C2)=O)CCC(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]pentyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A01 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCCCCO)C O=C(NCCCCCO[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C2)C=C([R2])C=C3)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCCCCO [R1]CC(=O)NCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 21880/6910/11620 13470.0 0 linker/linker_3203.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3154 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1C(N2C(C(C=CC(OCCCCCCCNC(CO[C@H]3CC[C@]4(C)C5C[C@@H](O)C6[C@@]([C@]5(C)CCC4C3(C)C)(C)CCC6[C@@](CCCC(C)(OC)C)(O)C)=O)=C7)=C7C2)=O)CCC(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]heptyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A02 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCCCCCCO)C O=C(NCCCCCCCO[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C2)C=C([R2])C=C3)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCCCCCCO [R1]CC(=O)NCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 13570/5060/4910 7846.666666666667 0 linker/linker_3204.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3155 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 N1C(C(CCC1=O)N1CC2C=C(C=CC=2C1=O)OCCOCCNC(CO[C@@H]1C(C2CC[C@](C)3[C@@]4(CCC(C4[C@@H](CC3[C@@]2(C)CC1)O)[C@](CCCC(C)(C)OC)(C)O)C)(C)C)=O)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A03 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCOCCO)C O=C(NCCOCCO[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C2)C=C([R2])C=C3)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCOCCO [R1]CC(=O)NCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 14840/10130/7540 10836.666666666666 0 linker/linker_3205.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3156 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 N1C(C(CCC1=O)N1CC2C=C(C=CC=2C1=O)OCCOCCOCCOCCNC(CO[C@@H]1C(C2CC[C@](C)3[C@@]4(CCC(C4[C@@H](CC3[C@@]2(C)CC1)O)[C@](CCCC(C)(C)OC)(C)O)C)(C)C)=O)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)C(C)(C)C3CC[C@]12C N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A04 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCOCCOCCOCCO)C O=C(NCCOCCOCCOCCO[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C2)C=C([R2])C=C3)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCOCCOCCOCCO [R1]CC(=O)NCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 12230/7130/8280 9213.333333333334 0 linker/linker_387.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3157 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2CC3=C(C2=O)C=CC(N4CCN(CC5CCN(C(CO[C@@H]6C(C7CC[C@]8(C)C(C[C@@H](O)C9C([C@@](CCCC(C)(OC)C)(O)C)CC[C@]98C)[C@@]7(C)CC6)(C)C)=O)CC5)CC4)=C3)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)N4CCC(CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)CC7=C6)CC5)CC4)C(C)(C)C3CC[C@]12C 3-[6-[4-[[1-[2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione A05 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(N1CCC(CN2CCNCC2)CC1)C O=C(N1CCC(CN2CCN([R2])CC2)CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C2)C=C([R2])C=C3)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)N1CCC(CN2CCNCC2)CC1 [R1]CC(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 8490/5740/2160 5463.333333333333 0 linker/linker_3207.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3158 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2C(C3=C(C2=O)C=C(OCCCCCNC(CO[C@@H]4C(C5CC[C@]6(C)C(C[C@@H](O)C7C([C@](C)(O)CCCC(C)(OC)C)CC[C@]76C)[C@@]5(C)CC4)(C)C)=O)C=C3)=O)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A06 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCCCCO)C O=C(NCCCCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C(C=C(C=C3)[R2])C2=O)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCCCCO [R1]CC(=O)NCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57190/7280/9630 24700.0 0 linker/linker_3203.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_616.sdf 3159 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2C(C3=C(C2=O)C=C(OCCCCCCCNC(CO[C@@H]4C(C5CC[C@]6(C)C(C[C@@H](O)C7C([C@](C)(O)CCCC(C)(OC)C)CC[C@]76C)[C@@]5(C)CC4)(C)C)=O)C=C3)=O)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCCCCCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C N-[7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyheptyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A07 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCCCCCCO)C O=C(NCCCCCCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C(C=C(C=C3)[R2])C2=O)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCCCCCCO [R1]CC(=O)NCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45360/9840/12320 22506.666666666668 0 linker/linker_3204.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_616.sdf 3160 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2C(C3=C(C2=O)C=C(OCCOCCNC(CO[C@@H]4C(C)(C)C5CC[C@]6(C)C(C[C@@H](O)C7C([C@@](CCCC(C)(OC)C)(O)C)CC[C@]76C)[C@]5(CC4)C)=O)C=C3)=O)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C N-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A08 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCOCCO)C O=C(NCCOCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C(C=C(C=C3)[R2])C2=O)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCOCCO [R1]CC(=O)NCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 15590/47370/9270 24076.666666666668 0 linker/linker_3205.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_616.sdf 3161 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2C(C3=C(C2=O)C=C(OCCOCCOCCOCCNC(CO[C@@H]4C(C)(C)C5CC[C@]6(C)C(C[C@@H](O)C7C([C@@](CCCC(C)(OC)C)(O)C)CC[C@]76C)[C@]5(CC4)C)=O)C=C3)=O)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)NCCOCCOCCOCCOC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C(C)(C)C3CC[C@]12C N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetamide A09 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(NCCOCCOCCOCCO)C O=C(NCCOCCOCCOCCO[R2])C[R1] O=C1CCC(C(N1)=O)N2C(C3=C(C=C(C=C3)[R2])C2=O)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCOCCOCCOCCO [R1]CC(=O)NCCOCCOCCOCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13450/25610/9873 16311.0 0 linker/linker_387.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_616.sdf 3162 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C1CCC(N2C(C3=C(C2=O)C=C(N4CCN(CC5CCN(CC5)C(CO[C@@H]6C(C)(C)C7CC[C@]8(C)C(C[C@@H](O)C9C([C@@](CCCC(C)(OC)C)(O)C)CC[C@]98C)[C@@]7(C)CC6)=O)CC4)C(F)=C3)=O)C(N1)=O COC(C)(C)CCC[C@@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](OCC(=O)N4CCC(CN5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)C(C)(C)C3CC[C@]12C 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-[[(3S,8R,10R,12R,14R)-12-hydroxy-17-[(2R)-2-hydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione A10 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(N1CCC(CN2CCNCC2)CC1)C O=C(N1CCC(CN2CCN([R2])CC2)CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C(C=C3[R2])=C(C2=O)C=C3F)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)N1CCC(CN2CCNCC2)CC1 [R1]CC(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 13310/6870/9570 9916.666666666666 0 linker/linker_3207.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_2040.sdf 3163 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O[C@@H]1C(C)(C)C2CC[C@]3(C)C(C[C@H](C4C(C(C)(CCCC(C)(C)OC)O)CC[C@@]34C)OCC(N5CCC(CN6CCN(C7=CC(CN(C8=O)C9CCC(NC9=O)=O)=C8C=C7)CC6)CC5)=O)[C@@]2(C)CC1 COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)N1CCC(CN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)CC1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C 3-[6-[4-[[1-[2-[[(3S,8R,10R,12R,14R)-3-hydroxy-17-(2-hydroxy-6-methoxy-6-methylheptan-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione A11 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(C)N1CCC(CC1)CN2CCNCC2 O=C(C[R1])N1CCC(CC1)CN2CCN([R2])CC2 O=C1C2=C(C=C([R2])C=C2)CN1C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)N1CCC(CN2CCNCC2)CC1 [R1]CC(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 24960/5164/8090 12738.0 0 linker/linker_3207.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_21.sdf 3164 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O[C@@H]1C(C)(C)C2CC[C@]3(C)C(C[C@H](C4[C@@]3(C)CCC4C(C)(CCCC(C)(C)OC)O)OCC(NCCCCCOC5=CC(C(N(C6=O)C7CCC(NC7=O)=O)=O)=C6C=C5)=O)[C@@]2(C)CC1 COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)NCCCCCOC1=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]-2-[[(3S,8R,10R,12R,14R)-3-hydroxy-17-(2-hydroxy-6-methoxy-6-methylheptan-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy]acetamide A12 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] CC(NCCCCCO)=O O=C(NCCCCCO[R2])C[R1] [R2]C1=CC(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C2C=C1 CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)NCCCCCO [R1]CC(=O)NCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16390/76800/13450 35546.666666666664 0 linker/linker_3203.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_616.sdf 3165 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O[C@H]1CC[C@]2(C)C3[C@@]([C@]4(C)CCC(C(C)(CCCC(C)(OC)C)O)C4[C@@H](C3)OCC(N5CCC(CN6CCN(C7=CC8=C(C(N(C8=O)C9CCC(NC9=O)=O)=O)C=C7F)CC6)CC5)=O)(C)CCC2C1(C)C COC(C)(C)CCCC(C)(O)C1CC[C@]2(C)C1[C@H](OCC(=O)N1CCC(CN3CCN(C4=CC5=C(C=C4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC1)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@]12C 2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-[4-[[1-[2-[[(3S,8R,10R,12R,14R)-3-hydroxy-17-(2-hydroxy-6-methoxy-6-methylheptan-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl]oxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]isoindole-1,3-dione A13 CC(C)(C1[C@](C2[C@@]([C@]3(C)CCC([C@@](C)(CCCC(C)(OC)C)O)C3[C@H](O)C2)(C)CC1)(C)CC4)[C@H]4O[R1] O=C(C)N1CCC(CC1)CN2CCNCC2 O=C(C[R1])N1CCC(CC1)CN2CCN([R2])CC2 O=C(C1=C2C=C([R2])C(F)=C1)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]3(C2C[C@H](C4[C@]3(CCC4[C@@](C)(CCCC(C)(C)OC)O)C)O)C)C CC(=O)N1CCC(CN2CCNCC2)CC1 [R1]CC(=O)N1CCC(CC1)CN2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 40280/26950/9050 25426.666666666668 0 linker/linker_3207.sdf warhead/warhead_3203.sdf e3_ligand/e3_ligand_2040.sdf 3166 O14965 Aurora kinase A AURKA ARK1 AIK ClC1=CC=CC(O[C@H](CC2)CC[C@@]2(C(NCCOCCOCCOCCOC3=C4C(C(N(C4=O)C5CCC(NC5=O)=O)=O)=CC=C3)=O)CC6=NC(NC7=NC=CS7)=CC=C6)=C1F O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCNC(=O)[C@]4(CC5=CC=CC(NC6=NC=CS6)=N5)CC[C@@H](OC5=CC=CC(Cl)=C5F)CC4)=C3C2=O)C(=O)N1 4-(3-chloro-2-fluorophenoxy)-N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxamide SK2188 O=C([R1])[C@@]1(CC[C@H](CC1)OC(C=CC=C2Cl)=C2F)CC3=NC(NC4=NC=CS4)=CC=C3 NCCOCCOCCOCCO [R1]NCCOCCOCCOCCO[R2] O=C(N1C2CCC(NC2=O)=O)C3=CC=CC([R2])=C3C1=O CRBN Q96SW2 [R1]C(=O)[C@]1(CC[C@@H](CC1)OC2=C(C(=CC=C2)Cl)F)CC3=NC(=CC=C3)NC4=NC=CS4 NCCOCCOCCOCCO [R1]NCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3.9 3.9 1 linker/linker_2496.sdf warhead/warhead_3216.sdf e3_ligand/e3_ligand_16.sdf 3167 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(OCCCC1=CN(CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)=O)N=N1)NCC5=CC=C(C(NC6=CC=CC=C6N)=O)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C=C(CCCOC(=O)NCC4=CC=C(C(=O)NC5=CC=CC=C5N)C=C4)N=N3)C(C)(C)C)C=C2)SC=N1 3-[1-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]triazol-4-yl]propyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate 17 JMC-137 O=C([R1])NCC1=CC=C(C(NC2=CC=CC=C2N)=O)C=C1 OCCCC1=CN(CCCCCCCCC)N=N1 [R1]OCCCC1=CN(CCCCCCCCC[R2])N=N1 O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O VHL P40337 [R1]C(=O)NCC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N CCCCCCCCCN1C=C(CCCO)N=N1 [R1]OCCCC1=CN(N=N1)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2840 2840.0 0 linker/linker_3217.sdf warhead/warhead_3217.sdf e3_ligand/e3_ligand_27.sdf 3168 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 C[C@@H](C1=CC=C(C2=C(N=CS2)C)C=C1)NC(C3C[C@@H](O)CN3C([C@H](NC(COCCOCCOCCNC(C[C@H]4C5=NN=C(C)N5C6=C(C(C7=CC=C(Cl)C=C7)=N4)C(C)=C(S6)C)=O)=O)C(C)(C)C)=O)=O CC1=C(C2=CC=C([C@H](C)NC(=O)C3C[C@@H](O)CN3C(=O)[C@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)C(C)(C)C)C=C2)SC=N1 (4R)-1-[(2R)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PRO CC1=NN=C(N1C2=C(C(C3=CC=C(Cl)C=C3)=N4)C(C)=C(S2)C)[C@@H]4CC([R1])=O COCCOCCOCCN [R1]NCCOCCOCCOC[R2] C[C@@H](C1=CC=C(C2=C(N=CS2)C)C=C1)NC(C3C[C@@H](O)CN3C([C@H](NC([R2])=O)C(C)(C)C)=O)=O VHL P40337 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C COCCOCCOCCN [R1]NCCOCCOCCOC[R2] [R2]C(=O)N[C@@H](C(=O)N1C[C@@H](CC1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.23 31.23 1 linker/linker_215.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_3174.sdf 3169 P00338 L-lactate dehydrogenase A chain LDHA LDH-A PIG19 O=C(CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCCCC#CC4=CC=CC(C5=NN(C(CC6CC6)=C5CC7=CC=C(C=C7)S(N)(=O)=O)C8=NC(C(O)=O)=CS8)=C4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1 2-[5-(cyclopropylmethyl)-3-[3-[6-[[13-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridecanoyl]amino]hex-1-ynyl]phenyl]-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid 22 MS6105 O=C(C1=CSC(N(N=C2C3=CC(C#CCCCCN[R1])=CC=C3)C(CC4CC4)=C2CC(C=C5)=CC=C5S(=O)(N)=O)=N1)O O=CCCCCCCCCCCC O=C([R1])CCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]NCCCCC#CC1=CC(=CC=C1)C2=NN(C(=C2CC3=CC=C(C=C3)S(=O)(=O)N)CC4CC4)C5=NC(=CS5)C(=O)O CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 38 38.0 1 linker/linker_3116.sdf warhead/warhead_3219.sdf e3_ligand/e3_ligand_27.sdf 3170 P07195 L-lactate dehydrogenase B chain LDHB LDH-B O=C(CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCCCC#CC4=CC=CC(C5=NN(C(CC6CC6)=C5CC7=CC=C(C=C7)S(N)(=O)=O)C8=NC(C(O)=O)=CS8)=C4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCC(=O)NCCCCC#CC3=CC=CC(C4=NN(C5=NC(C(=O)O)=CS5)C(CC5CC5)=C4CC4=CC=C(S(N)(=O)=O)C=C4)=C3)C(C)(C)C)C=C2)SC=N1 2-[5-(cyclopropylmethyl)-3-[3-[6-[[13-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridecanoyl]amino]hex-1-ynyl]phenyl]-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid 22 MS6105 O=C(C1=CSC(N(N=C2C3=CC(C#CCCCCN[R1])=CC=C3)C(CC4CC4)=C2CC(C=C5)=CC=C5S(=O)(N)=O)=N1)O O=CCCCCCCCCCCC O=C([R1])CCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]NCCCCC#CC1=CC(=CC=C1)C2=NN(C(=C2CC3=CC=C(C=C3)S(=O)(=O)N)CC4CC4)C5=NC(=CS5)C(=O)O CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 74 74.0 1 linker/linker_3116.sdf warhead/warhead_3219.sdf e3_ligand/e3_ligand_27.sdf 3171 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1C(N2C(C3=C(C2=O)C=CC=C3NCCOCCOCCOCCOCCC(N4CCC(CN5CCN(C6CCN(C7=CC=C(C=C7OC)NC8=NC(NC9CCOCC9)=C(CC)N=C8C(N)=O)CC6)CC5)CC4)=O)=O)CCC(N1)=O CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 1 CRBN(FLT3)-6 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 CCOCCOCCOCCOCCC(N1CCC(CC1)C)=O O=C(CCOCCOCCOCCOCC[R2])N1CCC(CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCOCCOCCOCCOCCC(=O)N1CCC(C)CC1 [R1]CC1CCN(CC1)C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 63/95/94 84.0 1 linker/linker_3221.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3172 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1C(N2C(C3=C(C2=O)C=CC=C3NCCOCCOCCC(N4CCC(CN5CCN(C6CCN(C7=CC=C(C=C7OC)NC8=NC(NC9CCOCC9)=C(CC)N=C8C(N)=O)CC6)CC5)CC4)=O)=O)CCC(N1)=O CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[[1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 2 CRBN(FLT3)-8 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 CCOCCOCCC(N1CCC(CC1)C)=O O=C(CCOCCOCC[R2])N1CCC(CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCOCCOCCC(=O)N1CCC(C)CC1 [R1]CC1CCN(CC1)C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 73/88/91/92/90 86.8 1 linker/linker_3222.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3173 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1C(N2C(C3=C(C2=O)C=CC=C3NCCOCCC(N4CCC(CN5CCN(C6CCN(C7=CC=C(C=C7OC)NC8=NC(NC9CCOCC9)=C(CC)N=C8C(N)=O)CC6)CC5)CC4)=O)=O)CCC(N1)=O CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 3 CRBN(FLT3)-9 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 CCOCCC(N1CCC(CC1)C)=O O=C(CCOCC[R2])N1CCC(CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCOCCC(=O)N1CCC(C)CC1 [R1]CC1CCN(CC1)C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 64/84/90/87/83 81.6 1 linker/linker_3223.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3174 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C1C(N2C(C3=C(C2=O)C=CC=C3NCCC(N4CCC(CN5CCN(C6CCN(C7=CC=C(C=C7OC)NC8=NC(NC9CCOCC9)=C(CC)N=C8C(N)=O)CC6)CC5)CC4)=O)=O)CCC(N1)=O CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 4 CRBN(FLT3)-10 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 CCC(N1CCC(CC1)C)=O O=C(CC[R2])N1CCC(CC1)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCC(=O)N1CCC(C)CC1 [R1]CC1CCN(CC1)C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 49/75/85/81/79 73.8 1 linker/linker_3224.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3175 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD NC(CC1)CCN1C2=C3C(C=CC(N4C=NC5=CC(OCC(CN6C(CCOCCOCCOCCOCCNC7=CC=CC(C8=O)=C7C(N8C(C9=O)CCC(N9)=O)=O)=O)(C6)C)=CC=C45)=N3)=CC=C2 CC1(COC2=CC=C3C(=C2)N=CN3C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)CN(C(=O)CCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C1 4-[2-[2-[2-[2-[3-[3-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-methylazetidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 6 CRBN(FLT3)-7 NC1CCN(C2=CC=CC3=C2N=C(N4C=NC5=C4C=CC(OCC6(C)CN([R1])C6)=C5)C=C3)CC1 O=CCCOCCOCCOCCOCC O=C([R1])CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CC(C1)(C)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4 CCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/24/77 33.666666666666664 0 linker/linker_732.sdf warhead/warhead_3225.sdf e3_ligand/e3_ligand_7.sdf 3176 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C([C@H]1N(C([C@@H](NC(CCOCCOCCOCCOCCOCCC(N2CC(C)(COC3=CC=C4C(N=CN4C5=NC6=C(N7CCC(N)CC7)C=CC=C6C=C5)=C3)C2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCOCCC(=O)N3CC(C)(COC4=CC=C5C(=C4)N=CN5C4=CC=C5C=CC=C(N6CCC(N)CC6)C5=N4)C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[2-[3-[3-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-methylazetidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 VHL(FLT3)-7 NC1CCN(C2=CC=CC3=C2N=C(N4C=NC5=C4C=CC(OCC6(C)CN([R1])C6)=C5)C=C3)CC1 CCOCCOCCOCCOCCOCCC=O O=C([R1])CCOCCOCCOCCOCCOCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1CC(C1)(C)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4 CCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0/48 16.0 0 linker/linker_702.sdf warhead/warhead_3225.sdf e3_ligand/e3_ligand_27.sdf 3177 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD NC(CC1)CCN1C2=C3C(C=CC(N4C=NC5=CC(OCC(CN6C(CCOCCOCCOCCOC7=CC(C(C8=CSC([C@@H]9CCCN9C([C@H](C%10CCCCC%10)NC([C@H](C)NC)=O)=O)=N8)=O)=CC=C7)=O)(C6)C)=CC=C45)=N3)=CC=C2 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NC(C(=O)C2=CC=CC(OCCOCCOCCOCCC(=O)N3CC(C)(COC4=CC=C5C(=C4)N=CN5C4=CC=C5C=CC=C(N6CCC(N)CC6)C5=N4)C3)=C2)=CS1)C1CCCCC1 (2S)-N-[(1S)-2-[(2S)-2-[4-[3-[2-[2-[2-[3-[3-[[1-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]benzimidazol-5-yl]oxymethyl]-3-methylazetidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]benzoyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide 8 IAP(FLT3)-33 NC1CCN(C2=CC=CC3=C2N=C(N4C=NC5=C4C=CC(OCC6(C)CN([R1])C6)=C5)C=C3)CC1 O=CCCOCCOCCOCCO O=C([R1])CCOCCOCCOCCO[R2] O=C(C1=CC=C([R2])C=C1)C2=CSC([C@@H]3CCCN3C([C@H](C4CCCCC4)NC([C@H](C)NC)=O)=O)=N2 IAP Q96P09 [R1]N1CC(C1)(C)COC2=CC3=C(C=C2)N(C=N3)C4=NC5=C(C=CC=C5N6CCC(CC6)N)C=C4 O=CCCOCCOCCOCCO [R1]C(=O)CCOCCOCCOCCO[R2] [R2]C1=CC=C(C=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 0.9/2.8 0/0/57 19.0 1.85 0 linker/linker_2962.sdf warhead/warhead_3225.sdf e3_ligand/e3_ligand_3183.sdf 3178 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(CC6CCN(C(CCOCCOCCOCCOCCOCCC(N[C@@H](C(C)(C)C)C(N(C[C@@H](C7)O)[C@@H]7C(NCC8=CC=C(C=C8)C9=C(N=CS9)C)=O)=O)=O)=O)CC6)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)CCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 6-ethyl-3-[4-[4-[4-[[1-[3-[2-[2-[2-[2-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-5-(oxan-4-ylamino)pyrazine-2-carboxamide 9 VHL(FLT3)-5 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 CC1CCN(C(CCOCCOCCOCCOCCOCC)=O)CC1 O=C(N1CCC(C[R1])CC1)CCOCCOCCOCCOCCOCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCOCCOCCOCCOCCOCCC(=O)N1CCC(C)CC1 [R1]CC1CCN(CC1)C(=O)CCOCCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0/21 7.0 0 linker/linker_3228.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_27.sdf 3179 P36888 FMSLike tyrosine kinase 3 ITD FLT3-ITD CN[C@H](C(N[C@H](C(N1CCC[C@H]1C2=NC(C(C3=CC(OCCOCCOCCOCC(N4CCC(CC4)CN(CC5)CCN5C(CC6)CCN6C7=CC=C(NC8=NC(NC9CCOCC9)=C(N=C8C(N)=O)CC)C=C7OC)=O)=CC=C3)=O)=CS2)=O)C%10CCCCC%10)=O)C CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(CC5CCN(C(=O)COCCOCCOCCOC6=CC=CC(C(=O)C7=CSC([C@@H]8CCCN8C(=O)[C@@H](NC(=O)[C@H](C)NC)C8CCCCC8)=N7)=C6)CC5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[[1-[2-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]methyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 10 IAP(FLT3)-29 CCC1=C(NC2CCOCC2)N=C(NC3=CC(OC)=C(N4CCC(N5CCN([R1])CC5)CC4)C=C3)C(C(N)=O)=N1 OCCOCCOCCOCC(N1CCC(CC1)C)=O O=C(COCCOCCOCCO[R2])N1CCC(CC1)C[R1] O=C(C1=CC=C([R2])C=C1)C2=CSC([C@@H]3CCCN3C([C@H](C4CCCCC4)NC([C@H](C)NC)=O)=O)=N2 IAP Q96P09 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CC1CCN(C(=O)COCCOCCOCCO)CC1 [R1]CC1CCN(CC1)C(=O)COCCOCCOCCO[R2] [R2]C1=CC=C(C=C1)C(=O)C2=CSC(=N2)[C@@H]3CCCN3C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC 0/52/70 40.66666666666666 0 linker/linker_3229.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_3183.sdf 3180 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[3-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]propoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16a [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCN1C=C(N=N1)C [R1]CCCN1C=C(N=N1)C[R2] O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCN1C=C(C)N=N1 [R1]CCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.6/69.4 47.5 0 linker/linker_3230.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3181 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]butoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16b [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCCN1C=C(N=N1)C [R1]CCCCN1C=C(N=N1)C[R2] O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCN1C=C(C)N=N1 [R1]CCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 470 7110 30.6/83.6 470.0 57.1 7110.0 1 linker/linker_1444.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3182 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[5-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]pentoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16c [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCCCN1C=C(N=N1)C [R1]CCCCCN1C=C(N=N1)C[R2] O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCCN1C=C(C)N=N1 [R1]CCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 620 12520 39.5/85.9 620.0 62.7 12520.0 1 linker/linker_343.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3183 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[6-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]hexoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16d [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCCCCN1C=C(N=N1)C [R1]CCCCCCN1C=C(N=N1)C[R2] O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCCCN1C=C(C)N=N1 [R1]CCCCCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.5/59.7 44.1 0 linker/linker_345.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3184 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16e [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CC1=CN(CCOCC)N=N1 [R1]CCOCCN1N=NC(C[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCN1C=C(C)N=N1 [R1]CCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 580 9550 39.7/85.4 580.0 62.55 9550.0 1 linker/linker_341.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3185 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16f [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CC1=CN(CCOCCOCC)N=N1 [R1]CCOCCOCCN1N=NC(C[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42.5/70.8 56.65 0 linker/linker_213.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3186 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCCOCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[2-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16g [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CC1=CN(CCOCCOCCOCC)N=N1 [R1]CCOCCOCCOCCN1N=NC(C[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 36.5/65.9 51.2 0 linker/linker_359.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3187 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCCOCCOCCN4C=C(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCC4=CN(CCOCCOCCOCCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[2-[2-[2-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16h [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CC1=CN(CCOCCOCCOCCOCC)N=N1 [R1]CCOCCOCCOCCOCCN1N=NC(C[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOCCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 39.4/80.2 59.8 0 linker/linker_361.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3188 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCCN4C=C(CCNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCC4=CN(CCCCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[5-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]pentoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16i [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCC1=CN(CCCCC)N=N1 [R1]CCCCCN1N=NC(CC[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCCN1C=C(CC)N=N1 [R1]CCCCCN1C=C(N=N1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.0/78.4 53.2 0 linker/linker_3238.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3189 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCN4C=C(CCNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)C=C3)C=C2)=C1 O=C1CCC(N2C(=O)C3=CC=CC(NCCC4=CN(CCOCCOC5=CC=C(CN6C=CC7=CC=C(C(=O)NO)C=C76)C=C5)N=N4)=C3C2=O)C(=O)N1 1-[[4-[2-[2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]ethoxy]ethoxy]phenyl]methyl]-N-hydroxyindole-6-carboxamide 16j [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCC1=CN(CCOCC)N=N1 [R1]CCOCCN1N=NC(CC[R2])=C1 O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCN1C=C(CC)N=N1 [R1]CCOCCN1C=C(N=N1)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29.4/71.2 50.3 0 linker/linker_3239.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_7.sdf 3190 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutoxy]phenyl]methyl]indole-6-carboxamide 21a [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCC [R1]CCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15.9/26.4 21.15 0 linker/linker_10.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3191 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentoxy]phenyl]methyl]indole-6-carboxamide 21b [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCC [R1]CCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 34.6/75.7 55.150000000000006 0 linker/linker_7.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3192 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexoxy]phenyl]methyl]indole-6-carboxamide 21c [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCCC [R1]CCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 27.3/51.4 39.35 0 linker/linker_2.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3193 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptoxy]phenyl]methyl]indole-6-carboxamide 21d [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCCCCC [R1]CCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29.8/73.6 51.7 0 linker/linker_12.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3194 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide 21e [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCOC [R1]CCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 45.7/91.3 68.5 0 linker/linker_197.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3195 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide 21f [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCOCCOC [R1]CCOCCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.3/75.3 53.3 0 linker/linker_243.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3196 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide 21g [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCOCCOCCOC [R1]CCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 26.7/50.2 38.45 0 linker/linker_168.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3197 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NO)C1=CC=C2C(N(CC3=CC=C(OCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)C=C3)C=C2)=C1 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOC3=CC=C(CN4C=CC5=CC=C(C(=O)NO)C=C54)C=C3)C(C)(C)C)C=C2)SC=N1 N-hydroxy-1-[[4-[2-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]indole-6-carboxamide 21h [R1]OC1=CC=C(CN2C=CC3=C2C=C(C(NO)=O)C=C3)C=C1 CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]OC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28.6/72.9 50.75 0 linker/linker_205.sdf warhead/warhead_3230.sdf e3_ligand/e3_ligand_23.sdf 3198 P09619 Platelet-derived growth factor receptor beta PDGFRB PDGFR-beta PDGFR1 O=C(NCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)C4=NC=CC(OC5=CC=C(NC(NC6=CC=C(Cl)C(C(F)(F)F)=C6)=O)C=C5)=C4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)C3=CC(OC4=CC=C(NC(=O)NC5=CC=C(Cl)C(C(F)(F)F)=C5)C=C4)=CC=N3)C(C)(C)C)C=C2)SC=N1 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]pyridine-2-carboxamide SV [R1]NC(C1=NC=CC(OC2=CC=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2)=C1)=O CCC [R1]CCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./N.D./12340 12340.0 0 linker/linker_10.sdf warhead/warhead_2645.sdf e3_ligand/e3_ligand_27.sdf 3199 P09619 Platelet-derived growth factor receptor beta PDGFRB PDGFR-beta PDGFR1 O=C(NCCCC(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)=O)C4=NC=CC(OC5=CC=C(NC(NC6=CC=C(Cl)C(C(F)(F)F)=C6)=O)C=C5)=C4 O=C1CCC(N2CC3=C(NC(=O)CCCNC(=O)C4=CC(OC5=CC=C(NC(=O)NC6=CC=C(Cl)C(C(F)(F)F)=C6)C=C5)=CC=N4)C=CC=C3C2=O)C(=O)N1 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]pyridine-2-carboxamide SL [R1]NC(C1=NC=CC(OC2=CC=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2)=C1)=O CCCC=O O=C([R2])CCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F CCCC=O [R1]CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 13390/39/N.D. 6714.5 0 linker/linker_232.sdf warhead/warhead_2645.sdf e3_ligand/e3_ligand_17.sdf 3200 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanamide 5 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCC [R1]CCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2744 2744.0 0 linker/linker_10.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3201 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide 6 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCC [R1]CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 406.1 406.1 1 linker/linker_14.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3202 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanamide 7 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCC [R1]CCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 520.1 520.1 1 linker/linker_1.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3203 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCOCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanamide 8 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1756 1756.0 0 linker/linker_15.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3204 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCOCCOCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanamide 9 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2003.5 2003.5 0 linker/linker_238.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3205 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCOCCOCCOCCNC4=CC=CC(C5=O)=C4C(N5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide 10 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 132.2 132.2 1 linker/linker_828.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3206 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCN4C=C(N=N4)CNC5=CC=CC(C6=O)=C5C(N6C(C7=O)CCC(N7)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCN3C=C(CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]propanamide 11 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CC(N=N1)=CN1CCOCCOCC [R1]CCOCCOCCN1C=C(N=N1)C[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCN1C=C(C)N=N1 [R1]CCOCCOCCN1C=C(N=N1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 389.2 389.2 1 linker/linker_213.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3207 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C(N[C@H](C)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=CC(Cl)=CC(NS(=O)(C)=O)=C3F)=N1)CCOCCOCCN4N=NC(COCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4 CC(C)N1C=C(C2=CC=NC(NC[C@@H](C)NC(=O)CCOCCOCCN3C=C(COCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2R)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[4-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]methyl]triazol-1-yl]ethoxy]ethoxy]propanamide 12 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCCN1N=NC(COCCC=O)=C1 O=C([R2])CCOCC1=CN(CCOCCOCC[R1])N=N1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCN1C=C(COCCC=O)N=N1 [R1]CCOCCOCCN1C=C(N=N1)COCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 732 732.0 1 linker/linker_3258.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3208 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(COCCOCCN4C=C(N=N4)COCCOCCNC5=CC=CC(C6=O)=C5C(N6C(C7=O)CCC(N7)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)COCCOCCN3C=C(COCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)N=N3)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-[2-[2-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]acetamide 13 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 CCOCCOCC(N=N1)=CN1CCOCCOC [R1]COCCOCCN1C=C(N=N1)COCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCC1=CN(CCOCCOC)N=N1 [R1]COCCOCCN1C=C(N=N1)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4095 4095.0 0 linker/linker_3259.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_7.sdf 3209 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E ClC(C=C1C2=NN(C=C2C3=NC(NC[C@H](C)NC(CCOCCOCCOCC(NC4=CC=CC(C5=O)=C4CN5C(C6=O)CCC(N6)=O)=O)=O)=NC=C3)C(C)C)=CC(NS(C)(=O)=O)=C1F CC(C)N1C=C(C2=CC=NC(NC[C@H](C)NC(=O)CCOCCOCCOCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)=N2)C(C2=CC(Cl)=CC(NS(C)(=O)=O)=C2F)=N1 N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]propanamide 14 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 O=CCOCCOCCOCC O=C([R2])COCCOCCOCC[R1] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3N[R2])C2=O CRBN Q96SW2 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCOCC=O [R1]CCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1046 1046.0 0 linker/linker_554.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_17.sdf 3210 P15056 Serine/threonine-protein kinase B-raf V600E BRAF V600E O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCC(N[C@@H](C)CNC2=NC=CC(C3=CN(C(C)C)N=C3C4=CC(Cl)=CC(NS(=O)(C)=O)=C4F)=N2)=O)=O)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCC(=O)N[C@@H](C)CNC3=NC=CC(C4=CN(C(C)C)N=C4C4=CC(Cl)=CC(NS(C)(=O)=O)=C4F)=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-[[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 15 C[C@H](NC([R1])=O)CNC1=NC=CC(C2=CN(C(C)C)N=C2C3=C(F)C(NS(=O)(C)=O)=CC(Cl)=C3)=N1 COCCOCCOCC [R1]CCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)N[C@@H](C)CNC1=NC=CC(=N1)C2=CN(N=C2C3=C(C(=CC(=C3)Cl)NS(=O)(=O)C)F)C(C)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3380 3380.0 0 linker/linker_168.sdf warhead/warhead_3251.sdf e3_ligand/e3_ligand_27.sdf 3211 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C(O)CC(C1=CC(OCCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=C(N(C)N=N5)C5=C1)C6=CC=C(C)C(CN7S(C8=CC=CC=C8O[C@H](C)C7)(=O)=O)=C6 CC1=CC=C(C(CC(=O)O)C2=CC(OCCCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=C3C(=C2)N=NN3C)C=C1CN1C[C@@H](C)OC2=CC=CC=C2S1(=O)=O 3-[7-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptoxy]-1-methylbenzotriazol-5-yl]-3-[4-methyl-3-[[(4R)-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]phenyl]propanoic acid 14 O=C(O)CC(C1=CC(O[R1])=C(N(C)N=N2)C2=C1)C3=CC=C(C)C(CN4S(C5=CC=CC=C5O[C@H](C)C4)(=O)=O)=C3 CCCCCCC [R1]CCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC(=CC2=C1N(N=N2)C)C(CC(=O)O)C3=CC(=C(C=C3)C)CN4C[C@H](OC5=CC=CC=C5S4(=O)=O)C CCCCCCC [R1]CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11 11.0 1 linker/linker_13.sdf warhead/warhead_3262.sdf e3_ligand/e3_ligand_7.sdf 3212 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NC1=CC2=C(N(CC3=C(F)C=C(C(NO)=O)C=C3)C(C)=N2)C=C1)CCCCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O CC1=NC2=CC(NC(=O)CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F 4-[[5-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-2-methylbenzimidazol-1-yl]methyl]-3-fluoro-N-hydroxybenzamide B4 O=C(NO)C1=CC=C(CN2C(C)=NC3=CC(NC([R1])=O)=CC=C23)C(F)=C1 O=C(NCCCCCCC)CO O=C(NCCCCCCC[R1])CO[R2] O=C(C1=C(C=CC=C1[R2])C2=O)N2C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]C(=O)NC1=CC2=C(C=C1)N(C(=N2)C)CC3=C(C=C(C=C3)C(=O)NO)F CCCCCCCNC(=O)CO [R1]CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.39 >50000/>50000/>50000 19.39 50000.0 1 linker/linker_1292.sdf warhead/warhead_3263.sdf e3_ligand/e3_ligand_16.sdf 3213 Q13547 Histone deacetylase 1 HDAC1 RPD3L1 HD1 O=C(NC1=CC2=C(N(CC3=C(F)C=C(C(NO)=O)C=C3)C(C)=N2)C=C1)CCCCCCCNC(COC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O CC1=NC2=CC(NC(=O)CCCCCCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2N1CC1=CC=C(C(=O)NO)C=C1F 4-[[5-[8-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]octanoylamino]-2-methylbenzimidazol-1-yl]methyl]-3-fluoro-N-hydroxybenzamide B4 O=C(NO)C1=CC=C(CN2C(C)=NC3=CC(NC([R1])=O)=CC=C23)C(F)=C1 O=C(NCCCCCCC)CO O=C(NCCCCCCC[R1])CO[R2] O=C(C1=C(C=CC=C1[R2])C2=O)N2C3C(NC(CC3)=O)=O CRBN Q96SW2 [R1]C(=O)NC1=CC2=C(C=C1)N(C(=N2)C)CC3=C(C=C(C=C3)C(=O)NO)F CCCCCCCNC(=O)CO [R1]CCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >50000/>50000/>50000 50000.0 0 linker/linker_1292.sdf warhead/warhead_3263.sdf e3_ligand/e3_ligand_16.sdf 3214 Q07889 Son of sevenless homolog 1 SOS1 O=C(NCCOCCOCCNC(C=C1)=C(C(=O)N2C(CCC3=O)C(=O)N3)C(=C1)C2=O)CCCCOC(=CC1=NC2C)C(OC)=CC1=C(N=2)N[C@H](C)C(C=CC1)=CC=1 COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-5-[6-methoxy-2-methyl-4-[[(1R)-1-phenylethyl]amino]quinazolin-7-yl]oxypentanamide P3 COC1=CC2=C(N=C(N=C2C=C1O[R1])C)N[C@H](C)C3=CC=CC=C3 O=C(CCCC)NCCOCCOCC O=C(CCCC[R1])NCCOCCOCC[R2] O=C(N1C(C(N2)=O)CCC2=O)C3=C(C=CC=C3C1=O)N[R2] CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC=CC=C3)C)OC CCCCC(=O)NCCOCCOCC [R1]CCCCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/0/19.5 6.5 0 linker/linker_3265.sdf warhead/warhead_3265.sdf e3_ligand/e3_ligand_7.sdf 3215 Q07889 Son of sevenless homolog 1 SOS1 O=C(NCCOCCOCCNC(C=C1)=C(C(=O)N2C(CC3)C(=O)NC3=O)C(=C1)C2=O)CCCCOC(=CC(=NC(=N1)C)C2=C1N[C@H](C)C(C=C(C1)C(F)(F)F)=CC=1)C(=C2)OC COC1=CC2=C(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-5-[6-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-7-yl]oxypentanamide P4 CC1=NC(N[C@@H](C2=CC=CC(C(F)(F)F)=C2)C)=C3C(C=C(C(OC)=C3)O[R1])=N1 O=C(CCCC)NCCOCCOCC O=C(CCCC[R1])NCCOCCOCC[R2] O=C(N1C(C(N2)=O)CCC2=O)C3=C(C=CC=C3C1=O)N[R2] CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC=C3)C(F)(F)F)C)OC CCCCC(=O)NCCOCCOCC [R1]CCCCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/37.1/34 23.7 0 linker/linker_3265.sdf warhead/warhead_3266.sdf e3_ligand/e3_ligand_7.sdf 3216 Q07889 Son of sevenless homolog 1 SOS1 O=C(CCCCOC(=CC(C1=C(N2)N[C@H](C)C(C=C(C3)C(F)(F)F)=CC=3N)=NC=2C)C(=C1)OC)NCCOCCOCCNC(C=C1)=C(C(=C1)C1=O)C(=O)N1C(CCC1=O)C(=O)N1 COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)NCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 5-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]pentanamide P5 C[C@H](C1=CC(N)=CC(C(F)(F)F)=C1)NC2=C3C(C=C(C(OC)=C3)O[R1])=NC(C)=N2 O=C(NCCOCCOCC)CCCC O=C(NCCOCCOCC[R2])CCCC[R1] O=C1C2=CC=CC(N[R2])=C2C(N1C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC CCCCC(=O)NCCOCCOCC [R1]CCCCC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/5.3/31.2 12.166666666666666 0 linker/linker_3265.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_7.sdf 3217 Q07889 Son of sevenless homolog 1 SOS1 NC(=CC(=C1)C(F)(F)F)C=C1[C@@H](C)NC(N=C1C)=C(C=C2OC)C(=N1)C=C2OC(=O)NC(=CC=C1)C(=C1C1=O)CN1C(CC1)C(=O)NC1=O COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O [4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl] N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate P6 C[C@H](C1=CC(N)=CC(C(F)(F)F)=C1)NC2=C3C(C=C(C(OC)=C3)O[R1])=NC(C)=N2 O=CN O=C([R1])N[R2] [R2]C1=CC=CC2=C1CN(C(C(N3)=O)CCC3=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC NC=O [R1]C(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0/25/37.6 20.866666666666667 0 linker/linker_3268.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_18.sdf 3218 Q07889 Son of sevenless homolog 1 SOS1 NC(C=C(C1)[C@@H](C)NC(N=C(C)N2)=C(C=C(C3OCC(=O)NC(=CC=C4)C(CN5C(CC6)C(=O)NC6=O)=C4C5=O)OC)C=2C=3)=CC=1C(F)(F)F COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O 2-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxy-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide P7 C[C@H](C1=CC(N)=CC(C(F)(F)F)=C1)NC2=C3C(C=C(C(OC)=C3)O[R1])=NC(C)=N2 CC(N)=O O=C(N[R2])C[R1] [R2]C1=CC=CC(C2=O)=C1CN2C(C(N3)=O)CCC3=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC CC(N)=O [R1]CC(=O)N[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 1400/480/1160 0/63.5/64 42.5 1013.3333333333334 0 linker/linker_1261.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_18.sdf 3219 Q07889 Son of sevenless homolog 1 SOS1 NC(=CC(=C1)C(F)(F)F)C=C1[C@@H](C)NC(N=C1C)=C(C=C(C2OCCCCC(=O)N[C@H](C(=O)N(C[C@@H]3O)[C@@H](C3)C(=O)N[C@@H](C)C(C=CC3C(SC4)=C(N=4)C)=CC=3)C(C)(C)C)OC)C(=N1)C=2 COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)C1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-[5-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxypentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide P8 C[C@H](C1=CC(N)=CC(C(F)(F)F)=C1)NC2=C3C(C=C(C(OC)=C3)O[R1])=NC(C)=N2 CCCC [R1]CCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N([C@H](C(N[C@H](C1=CC=C(C2=C(C)N=CS2)C=C1)C)=O)C3)C[C@@H]3O)=O VHL P40337 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0/1 0.3333333333333333 0 linker/linker_7.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_23.sdf 3220 Q07889 Son of sevenless homolog 1 SOS1 NC(C=C(C1)[C@@H](C)NC(N=C2C)=C(C=C(C3OCCCNC(C=CC4)=C(C=4C4=O)C(=O)N4C(CC4)C(=O)NC4=O)OC)C(C=3)=N2)=CC=1C(F)(F)F COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[3-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxypropylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione P9 C[C@H](C1=CC(N)=CC(C(F)(F)F)=C1)NC2=C3C(C=C(C(OC)=C3)O[R1])=NC(C)=N2 CCC [R1]CCC[R2] O=C(N1)CCC(N(C2=O)C(C3=CC=CC(N[R2])=C23)=O)C1=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/0/12.5 4.166666666666667 0 linker/linker_10.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_7.sdf 3221 Q07889 Son of sevenless homolog 1 SOS1 NC(=CC(=C1)C(F)(F)F)C=C1[C@@H](C)NC(N=C1C)=C(C=C2OC)C(=N1)C=C2OCCOCCOCCOCCOCCOCCNC(C=CC1)=C(C=1C1=O)C(=O)N1C(CCC1=O)C(N1)=O COC1=CC2=C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)N=C(C)N=C2C=C1OCCOCCOCCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[2-[2-[2-[2-[2-[2-[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione P10 COC1=CC2=C(N=C(N=C2C=C1O[R1])C)N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3 CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C1NC(CCC1N(C2=O)C(C3=CC=CC(N[R2])=C23)=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)C)OC CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0/13.5/0 4.5 0 linker/linker_828.sdf warhead/warhead_3267.sdf e3_ligand/e3_ligand_7.sdf 3222 Q07889 Son of sevenless homolog 1 SOS1 O=C(N(C1=O)C(CCC2=O)C(=O)N2)C(C1=C1)=C(NCCOC(=CC2=NC3)C(OC)=CC2=C(N=3)N[C@H](C)C(=CC=C2)C=C2)C=C1 COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=CN=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-(2,6-dioxopiperidin-3-yl)-4-[2-[6-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-7-yl]oxyethylamino]isoindole-1,3-dione P11 C[C@@H](NC1=C(C=C2OC)C(C=C2O[R1])=NC=N1)C3=CC=CC=C3 CC [R1]CC[R2] O=C(C1=C(N[R2])C=CC=C1C2=O)N2C(CC3)C(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2N[C@H](C)C3=CC=CC=C3)OC CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 63.3/56.2/65.6 61.7 0 linker/linker_9.sdf warhead/warhead_3273.sdf e3_ligand/e3_ligand_7.sdf 3223 Q07889 Son of sevenless homolog 1 SOS1 O=C(N(C1=O)C(CC2)C(=O)NC2=O)C(C1=CC1)=C(C=1)NCCOC(=CC1=NC2)C(=CC1=C(N=2)N[C@H](C)C(=CC=C1)C=C1C(F)(F)F)OC COC1=CC2=C(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)N=CN=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-(2,6-dioxopiperidin-3-yl)-4-[2-[6-methoxy-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-7-yl]oxyethylamino]isoindole-1,3-dione P12 COC1=CC2=C(N=CN=C2C=C1O[R1])N[C@H](C)C3=CC=CC(C(F)(F)F)=C3 CC [R1]CC[R2] O=C(C1=C(N[R2])C=CC=C1C2=O)N2C(CC3)C(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=CN=C2N[C@H](C)C3=CC(=CC=C3)C(F)(F)F)OC CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28.5/42.5/35.1 35.36666666666667 0 linker/linker_9.sdf warhead/warhead_3274.sdf e3_ligand/e3_ligand_7.sdf 3224 Q07889 Son of sevenless homolog 1 SOS1 OC(CCN1C(=O)CCNC(C=CC2)=C(C=2C2=O)C(=O)N2C(CC2)C(=O)NC2=O)(CC1)C(=CC1=C(N2)N[C@H](C)C(C=C(C3)C(F)(F)F)=CC=3)C(=CC1=NC=2C)OC COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)=C2C=C1C1(O)CCN(C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[[3-[4-hydroxy-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]piperidin-1-yl]-3-oxopropyl]amino]isoindole-1,3-dione P13 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)=C2C=C1[R1] CCC(N1CCC(O)CC1)=O O=C(N1CCC(O)([R1])CC1)CC[R2] O=C(C1=C(N[R2])C=CC=C1C2=O)N2C(CC3)C(NC3=O)=O CRBN Q96SW2 [R1]C1=CC2=C(C=C1OC)N=C(N=C2N[C@H](C)C3=CC(=CC=C3)C(F)(F)F)C CCC(=O)N1CCC(O)CC1 [R1]C1(CCN(CC1)C(=O)CC[R2])O [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 31/33.2/57.3 40.5 0 linker/linker_3275.sdf warhead/warhead_3275.sdf e3_ligand/e3_ligand_7.sdf 3225 Q07889 Son of sevenless homolog 1 SOS1 OC(CCN1C(=O)CNC(C=CC2)=C(C=2C2=O)C(=O)N2C(CC2)C(=O)NC2=O)(CC1)C(=CC1=C(N2)N[C@H](C)C(=CC=C3)C=C3C(F)(F)F)C(OC)=CC1=NC=2C COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)F)=C3)=C2C=C1C1(O)CCN(C(=O)CNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 2-(2,6-dioxopiperidin-3-yl)-4-[[2-[4-hydroxy-4-[7-methoxy-2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]piperidin-1-yl]-2-oxoethyl]amino]isoindole-1,3-dione P14 CC1=NC(N[C@H](C)C2=CC=CC(C(F)(F)F)=C2)=C(C=C3[R1])C(C=C3OC)=N1 CC(N1CCC(O)CC1)=O O=C(N1CC([R1])C(O)CC1)C[R2] O=C(C1=C(N[R2])C=CC=C1C2=O)N2C(CC3)C(NC3=O)=O CRBN Q96SW2 [R1]C1=CC2=C(C=C1OC)N=C(N=C2N[C@H](C)C3=CC(=CC=C3)C(F)(F)F)C CC(=O)N1CCC(O)CC1 [R1]C1CN(CCC1O)C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 49.2/60.1/34.3 47.866666666666674 0 linker/linker_3276.sdf warhead/warhead_3275.sdf e3_ligand/e3_ligand_7.sdf 3226 Q07889 Son of sevenless homolog 1 SOS1 O=C(N(C1=O)C(CCC2=O)C(N2)=O)C(C1=CC1)=C(C=1)NCCOC(=CC(C1=C(N2)N[C@H](C)C(=CC=C3)C=C3)=NC=2C)C(=C1)OC COC1=CC2=C(N[C@H](C)C3=CC=CC=C3)N=C(C)N=C2C=C1OCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-(2,6-dioxopiperidin-3-yl)-4-[2-[6-methoxy-2-methyl-4-[[(1R)-1-phenylethyl]amino]quinazolin-7-yl]oxyethylamino]isoindole-1,3-dione P15 COC1=CC2=C(N=C(N=C2C=C1O[R1])C)N[C@H](C)C3=CC=CC=C3 CC [R1]CC[R2] O=C(C1=C(N[R2])C=CC=C1C2=O)N2C(CC3)C(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)N=C(N=C2N[C@H](C)C3=CC=CC=C3)C)OC CC [R1]CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22.2/31.8/53.1 35.7 0 linker/linker_9.sdf warhead/warhead_3265.sdf e3_ligand/e3_ligand_7.sdf 3227 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCCCC(N4CCN(CC4)C5=CC=C(N=C5)NC6=NC=C(C7=N6)C(C)=C(C(N7C8CCCC8)=O)C(C)=O)=O)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 MS28 O=C1C(C(C)=O)=C(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=N3)N=C2N1C5CCCC5 CCCCCC=O O=C([R1])CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_255.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_27.sdf 3228 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(NCC1=CC=C(C=C1)C2=C(N=CS2)C)[C@H]3N(C[C@@H](C3)O)C([C@H](C(C)(C)C)NC(CCCCCC(N4CCN(CC4)C5=CC=C(N=C5)NC6=NC=C(C7=N6)C(C)=C(C(N7C8CCCC8)=O)C(C)=O)=O)=O)=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=N3)N=C2N(C2CCCC2)C1=O (2S,4R)-1-[(2S)-2-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 MS28 O=C1C(C(C)=O)=C(C)C2=CN=C(NC3=CC=C(N4CCN([R1])CC4)C=N3)N=C2N1C5CCCC5 CCCCCC=O O=C([R1])CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_255.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_27.sdf 3229 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C(C=C3)NC(CCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)N4CCC CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[3-oxo-4-propyl-2-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-6-yl]hexanediamide B1 O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C([R1])C=C3)N4CCC NC(CCCC)=O O=C(CCCC[R2])N[R1] O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C1)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC2=C(C=C1)N=C(C(=O)N2CCC)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCC(N)=O [R1]NC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 88 88.0 1 linker/linker_1831.sdf warhead/warhead_3280.sdf e3_ligand/e3_ligand_23.sdf 3230 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C(C=C3)NC(CCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)N4CCC CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[3-oxo-4-propyl-2-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-6-yl]octanediamide B2 O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C([R1])C=C3)N4CCC NC(CCCCCC)=O O=C(CCCCCC[R2])N[R1] O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C1)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC2=C(C=C1)N=C(C(=O)N2CCC)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCC(N)=O [R1]NC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 20.8 20.8 1 linker/linker_1177.sdf warhead/warhead_3280.sdf e3_ligand/e3_ligand_23.sdf 3231 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C(C=C3)NC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)N4CCC CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[3-oxo-4-propyl-2-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-6-yl]decanediamide B3 O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C([R1])C=C3)N4CCC NC(CCCCCCCC)=O O=C(CCCCCCCC[R2])N[R1] O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C1)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC2=C(C=C1)N=C(C(=O)N2CCC)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCCC(N)=O [R1]NC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 14 14.0 1 linker/linker_2406.sdf warhead/warhead_3280.sdf e3_ligand/e3_ligand_23.sdf 3232 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C(C=C3)NC(CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)N4CCC CCCN1C(=O)C(C2=CC=C(C(=O)NCC3=CC=CN=C3)C=C2)=NC2=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=C21 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[3-oxo-4-propyl-2-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-6-yl]dodecanediamide B4 O=C(C(C1=CC=C(C=C1)C(NCC2=CC=CN=C2)=O)=NC3=C4C=C([R1])C=C3)N4CCC NC(CCCCCCCCCC)=O O=C(CCCCCCCCCC[R2])N[R1] O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C1)C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]C1=CC2=C(C=C1)N=C(C(=O)N2CCC)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCCCCC(N)=O [R1]NC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 8.4 12.1 8.4 12.1 1 linker/linker_2952.sdf warhead/warhead_3280.sdf e3_ligand/e3_ligand_23.sdf 3233 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)=O)=O)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[7-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]heptanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C1 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCC [R1]CCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 385.5 385.5 1 linker/linker_12.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3234 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCCC(N[C@H](C(N(C2)[C@@H](C[C@H]2O)C(N[C@H](C(C=C3)=CC=C3C4=C(N=CS4)C)C)=O)=O)C(C)(C)C)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C2 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCCC [R1]CCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 94.3 94.3 1 linker/linker_13.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3235 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCCCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)=O)=O)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[9-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]nonanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C3 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCCCC [R1]CCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 37.1 37.1 1 linker/linker_33.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3236 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCCCCC(N[C@H](C(N(C2)[C@@H](C[C@H]2O)C(N[C@H](C(C=C3)=CC=C3C4=C(N=CS4)C)C)=O)=O)C(C)(C)C)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[10-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]decanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C4 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCCCCC [R1]CCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 31.9 31.9 1 linker/linker_34.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3237 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)=O)=O)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[11-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]undecanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C5 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCCCCCC [R1]CCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 78 78.0 1 linker/linker_35.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3238 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(N1CCCCCCCCCCCC(N[C@H](C(N(C2)[C@@H](C[C@H]2O)C(N[C@H](C(C=C3)=CC=C3C4=C(N=CS4)C)C)=O)=O)C(C)(C)C)=O)C(C5=CC=C(C(NCC6=CN=CC=C6)=O)C=C5)=NC7=C1C=CC=C7 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCN3C(=O)C(C4=CC=C(C(=O)NCC5=CC=CN=C5)C=C4)=NC4=CC=CC=C43)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[12-[2-oxo-3-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinoxalin-1-yl]dodecanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide C6 O=C1N([R1])C(C=CC=C2)=C2N=C1C3=CC=C(C=C3)C(NCC4=CN=CC=C4)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1C[C@@H](C[C@H]1C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)O)=O)NC([R2])=O VHL P40337 [R1]N1C2=CC=CC=C2N=C(C1=O)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 75.4 75.4 1 linker/linker_36.sdf warhead/warhead_3284.sdf e3_ligand/e3_ligand_23.sdf 3239 Q07817 B-cell lymphoma extra large BCL-xL BCL2L1 BCLX ClC(C=C1)=CC=C1C(CCC(C)(C2)C)=C2CN(CC3)CCN3C4=CC=C(C(NS(C5=CC=C(C(S(C(F)(F)F)(=O)=O)=C5)NCCCN6CCN(CC6)CCCC#CC7=CC=CC(C8=O)=C7CN8C(C9=O)CCC(N9)=O)(=O)=O)=O)C=C4 CC1(C)CCC(C2=CC=C(Cl)C=C2)=C(CN2CCN(C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(NCCCN5CCN(CCCC#CC6=CC=CC7=C6CN(C6CCC(=O)NC6=O)C7=O)CC5)C(S(=O)(=O)C(F)(F)F)=C4)C=C3)CC2)C1 4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[3-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pent-4-ynyl]piperazin-1-yl]propylamino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide SIAIS361034 SIAIS361034 ClC(C=C1)=CC=C1C(CCC(C)(C2)C)=C2CN(CC3)CCN3C4=CC=C(C(NS(C5=CC=C(C(S(C(F)(F)F)(=O)=O)=C5)NCCCN6CCN([R1])CC6)(=O)=O)=O)C=C4 C#CCCC [R1]CCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=C(CCC(C5)(C)C)C6=CC=C(C=C6)Cl)S(=O)(=O)C(F)(F)F C#CCCC [R1]CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 120.1 120.1 1 linker/linker_19.sdf warhead/warhead_3290.sdf e3_ligand/e3_ligand_18.sdf 3240 P29597 Non-receptor tyrosine-protein kinase TYK2 TYK2 O=C(NC)C1=CN=C(NC2=NC=C(C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)C=C2)C=C1NC6=CC=CC(C(NC)=O)=C6OC CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C(=O)NC)=C1OC 6-[[5-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]pyridin-2-yl]amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]-N-methylpyridine-3-carboxamide 5 O=C(C1=CN=C([R1])C=C1NC2=CC=CC(C(NC)=O)=C2OC)NC NC1=NC=C(C(NCCCCCCCCC)=O)C=C1 O=C(C1=CN=C(N[R1])C=C1)NCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C1=CC(=C(C=N1)C(=O)NC)NC2=CC=CC(=C2OC)C(=O)NC CCCCCCCCCNC(=O)C1=CC=C(N)N=C1 [R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 230 230.0 1 linker/linker_3291.sdf warhead/warhead_3291.sdf e3_ligand/e3_ligand_27.sdf 3241 P29597 Non-receptor tyrosine-protein kinase TYK2 TYK2 O=C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)C4=CN=C(NC5=NC=C(C(N)=O)C(NC6=CC=CC(C(NC)=O)=C6OC)=C5)C=C4 CNC(=O)C1=CC=CC(NC2=CC(NC3=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=N3)=NC=C2C(N)=O)=C1OC 6-[[5-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]pyridin-2-yl]amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]pyridine-3-carboxamide 36 O=C(C1=C(OC)C(NC2=CC([R1])=NC=C2C(N)=O)=CC=C1)NC NC1=NC=C(C(NCCCCCCCCC)=O)C=C1 O=C(C1=CN=C(N[R1])C=C1)NCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C1=CC(=C(C=N1)C(=O)N)NC2=CC=CC(=C2OC)C(=O)NC CCCCCCCCCNC(=O)C1=CC=C(N)N=C1 [R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23 23.0 1 linker/linker_3291.sdf warhead/warhead_3292.sdf e3_ligand/e3_ligand_27.sdf 3242 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)C4=CN=C(NC5=NC=C(C(N)=O)C(NC6=CC=CC(C(NC)=O)=C6OC)=C5)C=C4 CNC(=O)C1=CC=CC(NC2=CC(NC3=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=N3)=NC=C2C(N)=O)=C1OC 6-[[5-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]pyridin-2-yl]amino]-4-[2-methoxy-3-(methylcarbamoyl)anilino]pyridine-3-carboxamide 36 O=C(C1=C(OC)C(NC2=CC([R1])=NC=C2C(N)=O)=CC=C1)NC NC1=NC=C(C(NCCCCCCCCC)=O)C=C1 O=C(C1=CN=C(N[R1])C=C1)NCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C1=CC(=C(C=N1)C(=O)N)NC2=CC=CC(=C2OC)C(=O)NC CCCCCCCCCNC(=O)C1=CC=C(N)N=C1 [R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1095 1095.0 0 linker/linker_3291.sdf warhead/warhead_3292.sdf e3_ligand/e3_ligand_27.sdf 3243 P29597 Non-receptor tyrosine-protein kinase TYK2 TYK2 O=C(NC)C1=CN=C(NC2=NC=C(C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)C=C2)C=C1NC6=CC=CC(C7=NN(C)C=N7)=C6OC CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C2=NN(C)C=N2)=C1OC 6-[[5-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]pyridin-2-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide 37 O=C(NC)C1=CN=C([R1])C=C1NC2=CC=CC(C3=NN(C)C=N3)=C2OC NC1=NC=C(C(NCCCCCCCCC)=O)C=C1 O=C(C1=CN=C(N[R1])C=C1)NCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C1=CC(=C(C=N1)C(=O)NC)NC2=CC=CC(=C2OC)C3=NN(C=N3)C CCCCCCCCCNC(=O)C1=CC=C(N)N=C1 [R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 14 14.0 1 linker/linker_3291.sdf warhead/warhead_3294.sdf e3_ligand/e3_ligand_27.sdf 3244 P23458 Janus kinase 1 JAK1 JAK1A JAK1B O=C(NC)C1=CN=C(NC2=NC=C(C(NCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)C=C2)C=C1NC6=CC=CC(C7=NN(C)C=N7)=C6OC CNC(=O)C1=CN=C(NC2=CC=C(C(=O)NCCCCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C=N2)C=C1NC1=CC=CC(C2=NN(C)C=N2)=C1OC 6-[[5-[[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]carbamoyl]pyridin-2-yl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide 37 O=C(NC)C1=CN=C([R1])C=C1NC2=CC=CC(C3=NN(C)C=N3)=C2OC NC1=NC=C(C(NCCCCCCCCC)=O)C=C1 O=C(C1=CN=C(N[R1])C=C1)NCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]C1=CC(=C(C=N1)C(=O)NC)NC2=CC=CC(=C2OC)C3=NN(C=N3)C CCCCCCCCCNC(=O)C1=CC=C(N)N=C1 [R1]NC1=NC=C(C=C1)C(=O)NCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_3291.sdf warhead/warhead_3294.sdf e3_ligand/e3_ligand_27.sdf 3245 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223599 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCC [R1]OCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCO [R1]OCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23 23.0 0 linker/linker_832.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3246 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223600 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCO [R1]OCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCO [R1]OCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18 18.0 0 linker/linker_3297.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3247 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223601 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCO)=O O=C(NCCOCCO[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCO [R1]OCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48 48.0 0 linker/linker_3298.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3248 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223602 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCC [R1]OCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 77 77.0 1 linker/linker_203.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3249 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223603 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCO [R1]OCCOCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCOCCO [R1]OCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 94 94.0 1 linker/linker_3300.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3250 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223604 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCO)=O O=C(NCCOCCOCCO[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCO [R1]OCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47 47.0 0 linker/linker_3301.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3251 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223605 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCC [R1]OCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCO [R1]OCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_1665.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3252 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223606 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCO [R1]OCCCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCCCO [R1]OCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3303.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3253 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223607 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCCCO)=O O=C(NCCCCO[R1])CO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCCCO [R1]OCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 0 linker/linker_2694.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3254 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[7-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]heptoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223608 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCCCCCCO)=O O=C(NCCCCCCCO[R1])CO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCCCCCCO [R1]OCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3305.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3255 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223609 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCC(N1CCC(O)CC1)=O O=C(N1CCC(O[R1])CC1)CCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CCOCCO)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45 45.0 0 linker/linker_3306.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3256 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223610 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCC)=O)CC1 O=C(CCOCC[R2])N(CC1)CCC1O[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33 33.0 0 linker/linker_3307.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3257 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223611 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCC(N1CCC(O)CC1)=O)=O O=C(NCCOCCC(N1CCC(O[R1])CC1)=O)CO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 38 38.0 0 linker/linker_3308.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3258 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223612 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCCOCC)=O)CC1 O=C(CCOCCOCC[R2])N(CC1)CCC1O[R1] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 329/543.8 94 436.4 94.0 1 linker/linker_3309.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3259 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223613 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCC(N1CCC(O)CC1)=O O=C(N1CCC(O[R1])CC1)CCOCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CCOCCOCCO)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 80 80.0 1 linker/linker_3310.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3260 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223614 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCO [R1]CCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCO [R1]CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 49 49.0 0 linker/linker_1098.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3261 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223615 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCCO [R1]CCCCCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCO [R1]CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_1666.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3262 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223616 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCO [R1]CCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCO [R1]CCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6 6.0 0 linker/linker_832.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3263 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223617 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCO [R1]CCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCO [R1]CCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 88 88.0 1 linker/linker_203.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3264 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(C(=O)CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223792 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCC(N1CCC(O)CC1)=O)=O O=C(NCCOCCOCCC(N1CCC(O[R1])CC1)=O)CO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 81 81.0 1 linker/linker_3315.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3265 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223793 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCC [R1]CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 66 66.0 0 linker/linker_14.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3266 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223794 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCC)=O O=C(NCCOCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCNC(=O)CO [R1]CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 8 8.0 0 linker/linker_1175.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3267 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223795 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCC [R1]CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCC [R1]CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 71 71.0 1 linker/linker_1.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3268 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223796 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCC)=O O=C(NCCOCCOCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCNC(=O)CO [R1]CCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 40.0 0 linker/linker_1176.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3269 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223797 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCC)=O O=C(NCCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCNC(=O)CO [R1]CCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 67 67.0 0 linker/linker_996.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3270 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223798 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCCCCC)=O O=C(NCCCCCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_577.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3271 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223799 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCC [R1]OCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCO [R1]OCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_832.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3272 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223800 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCC [R1]OCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_203.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3273 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223801 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCC [R1]OCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCO [R1]OCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 39 39.0 0 linker/linker_832.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3274 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223802 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCC [R1]OCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCO [R1]OCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_203.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3275 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]butoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223803 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCC [R1]OCCCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCO [R1]OCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 10 10.0 0 linker/linker_1665.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3276 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[7-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]heptoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223804 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCCCC [R1]OCCCCCCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCCCCO [R1]OCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 41 41.0 0 linker/linker_68.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3277 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223805 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCC(N1CC(O)C1)=O O=C(N1CC(O[R1])C1)CCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90 90.0 1 linker/linker_3328.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3278 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223806 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCC(N1CC(O)C1)=O)=O O=C(NCCOCCC(N1CC(O[R1])C1)=O)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 86 86.0 1 linker/linker_3329.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3279 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223807 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCC(N1CC(O)C1)=O O=C(N1CC(O[R1])C1)CCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 94 94.0 1 linker/linker_3330.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3280 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223808 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCC(N1CC(O)C1)=O O=C(N1CC(O[R1])C1)CCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CCOCCOCCO)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 74 74.0 1 linker/linker_3331.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3281 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223809 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCC [R1]CCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCC [R1]CCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_14.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3282 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223810 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCC [R1]CCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCC [R1]CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_1.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3283 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU223811 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCC [R1]CCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCC [R1]CCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 23 23.0 0 linker/linker_14.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3284 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU223812 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCC [R1]CCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCC [R1]CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_1.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3285 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223813 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCC [R1]CCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCC [R1]CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 36 36.0 0 linker/linker_10.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3286 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223814 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCC [R1]CCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCC [R1]CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_12.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3287 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[3-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU223815 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCC [R1]CCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCC [R1]CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_10.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3288 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[6-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]hexoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU223816 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCC [R1]CCCCCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCC [R1]CCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_12.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3289 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[9-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]nonoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU223817 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCCCCC [R1]CCCCCCCCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 90 90.0 1 linker/linker_34.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3290 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCC(=O)N3CC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[3-[3-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]azetidin-1-yl]-3-oxopropoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223850 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CN(C(CCOCC)=O)C1 O=C(CCOCC[R2])N(C1)CC1O[R1] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 20 20.0 0 linker/linker_3328.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3291 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCC(=O)N3CC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[3-[3-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]azetidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223851 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CN(C(CCOCCOCC)=O)C1 O=C(CCOCCOCC[R2])N(C1)CC1O[R1] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 91 91.0 1 linker/linker_3330.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3292 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]-3-oxopropoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223852 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCC)=O)CC1 O=C(CCOCC[R2])N(CC1)CCC1O[R1] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 72 72.0 1 linker/linker_3307.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3293 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU223853 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCCOCC)=O)CC1 O=C(CCOCCOCC[R2])N(CC1)CCC1O[R1] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 3 3.0 0 linker/linker_3309.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3294 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@]1([C@H](C(NC2=CC(OCCCN[C@@H](C(C)(C)C)C(N3C[C@@H](C[C@H]3C(NCC4=CC=C(C5=C(N=CS5)C)C=C4)=O)O)=O)=C(C=C2)Cl)=O)C)CC[C@](CC1)(C6=C7C=C(C=CC7=NC=C6)F)[H] CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]propylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223854 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCC [R1]CCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCC [R1]CCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_10.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3295 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@]1([C@H](C(NC2=CC(OCCCCCCN[C@@H](C(C)(C)C)C(N3C[C@@H](C[C@H]3C(NCC4=CC=C(C5=C(N=CS5)C)C=C4)=O)O)=O)=C(C=C2)Cl)=O)C)CC[C@](CC1)(C6=C7C=C(C=CC7=NC=C6)F)[H] CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]hexylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223855 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCC [R1]CCCCCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCC [R1]CCCCCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 21 21.0 0 linker/linker_12.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3296 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@]1([C@H](C(NC2=CC(OCCCCCCCCCN[C@@H](C(C)(C)C)C(N3C[C@@H](C[C@H]3C(NCC4=CC=C(C5=C(N=CS5)C)C=C4)=O)O)=O)=C(C=C2)Cl)=O)C)CC[C@](CC1)(C6=C7C=C(C=CC7=NC=C6)F)[H] CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCCCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]nonylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU223856 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCCCCC [R1]CCCCCCCCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 3.0 0 linker/linker_34.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3297 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC(OCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C(Cl)C=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223857 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCCCCCO [R1]CCCCCCCCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCCCCO [R1]CCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 16 16.0 0 linker/linker_632.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3298 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU223858 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCC(N1CC(O)C1)=O)=O O=C(NCCOCCOCCC(N1CC(O[R1])C1)=O)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCC(=O)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9 9.0 0 linker/linker_3349.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3299 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226132 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCC [R1]OCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCO [R1]OCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_204.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3300 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226133 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCO [R1]OCCOCCOCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCOCCOCCO [R1]OCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_927.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3301 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226134 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCC [R1]OCCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCO [R1]OCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_204.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3302 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226135 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCO[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCOCCO [R1]OCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3353.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3303 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226136 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCC [R1]OCCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCO [R1]OCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_204.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3304 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxydecoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226137 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCCCCCCCO [R1]OCCCCCCCCCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCCCCCCCCCO [R1]OCCCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3355.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3305 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226138 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCCCCCCCCCO)=O O=C(NCCCCCCCCCCO[R1])CO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCCCCCCCCCO [R1]OCCCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3356.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3306 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226139 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCCN1CC(O)C1)=O O=C(NCCOCCOCCCN1CC(O[R1])C1)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCCN1CC(O)C1 [R1]OC1CN(C1)CCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3357.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3307 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC(OCCOCCOCCOCCNC2=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC=C2)=C(Cl)C=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226140 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_15.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3308 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOC2=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC=C2)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226141 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 13 13.0 0 linker/linker_204.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3309 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226142 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_15.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3310 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226143 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCC)=O O=C(NCCOCCOCCOCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_1462.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3311 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU226144 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_15.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3312 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226145 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_828.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3313 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC(OCCOCCOCCOCCOCCOCCOC2=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=CC=C2)=C(Cl)C=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226146 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCCOCCO [R1]CCOCCOCCOCCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCOCCO [R1]CCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_208.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3314 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226147 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_828.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3315 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226148 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCCOCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3366.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3316 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU226149 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_828.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3317 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCCCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[10-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]decoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226150 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCCCCCCC [R1]OCCCCCCCCCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCCCCCCCO [R1]OCCCCCCCCCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 23 23.0 0 linker/linker_1670.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3318 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CN(C2)C(=O)CCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CN(C(=O)CCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoyl]azetidin-3-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226151 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCC(N1CC(O)C1)=O O=C(N1CC(O[R1])C1)CCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CCOCCO)N1CC(O)C1 [R1]OC1CN(C1)C(=O)CCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 86 86.0 1 linker/linker_3369.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3319 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]-3-oxopropoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226152 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCC)=O)CC1 O=C(CCOCC[R2])N(CC1)CCC1O[R1] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 88 88.0 1 linker/linker_3307.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3320 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CC2)C(=O)CCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCC(=O)N3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226153 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(C(CCOCCOCC)=O)CC1 O=C(CCOCCOCC[R2])N(CC1)CCC1O[R1] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCC(=O)N1CCC(O)CC1 [R1]OC1CCN(CC1)C(=O)CCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67 67.0 0 linker/linker_3309.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3321 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]propyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226154 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCCN1CCC(O)CC1)=O O=C(NCCOCCCN1CCC(O[R1])CC1)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 66 66.0 0 linker/linker_3372.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3322 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]propyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226155 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCCN1CCC(O)CC1)=O O=C(NCCOCCOCCCN1CCC(O[R1])CC1)CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 33 33.0 0 linker/linker_3373.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3323 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC(OCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C(Cl)C=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]nonoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226156 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCCCCCCCC [R1]CCCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_34.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3324 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC(OCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C(Cl)C=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCCCCCCCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[9-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]nonoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226157 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCCCCCCCC)=O O=C(NCCCCCCCCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCCCCCCCCNC(=O)CO [R1]CCCCCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3375.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3325 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]butylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226178 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCC [R1]OCCCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCO [R1]OCCCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_1665.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3326 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCCCCCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]heptylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226179 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCCCC [R1]OCCCCCCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCCCCO [R1]OCCCCCCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_68.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3327 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226180 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCCCCCCCCC [R1]OCCCCCCCCCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCCCCCCCCCO [R1]OCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_1670.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3328 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226181 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_206.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3329 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226182 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_210.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3330 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226183 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_206.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3331 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226184 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCOCCO[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3382.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3332 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226185 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_206.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3333 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226186 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_208.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_7.sdf 3334 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226187 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCO[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3[R2] CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3385.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3335 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC(OCCOCCOCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=CC=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOCCOC3=CC=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[2-[3-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226188 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_208.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_450.sdf 3336 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 C[C@@H](C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[2-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226189 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCCOCCOCCO)=O O=C(NCCOCCOCCOCCOCCOCCO[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C O=C(CO)NCCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 46 46.0 0 linker/linker_391.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3337 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OCCOCCOCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOCCOC3=CC=C(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)C=C3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[2-[2-[2-[2-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226190 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCCOCCOCCOCCOCCOCC [R1]OCCOCCOCCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCOCCOCCOCCO [R1]OCCOCCOCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 27 27.0 0 linker/linker_208.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3338 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226191 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(CC1)CCCOCCO [R1]OC1CCN(CC1)CCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3389.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3339 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCOC3=CC(=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C3=C(C)N=CS3)CC2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCCN3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]propoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226192 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(CC1)CCCOCC [R1]OC1CCN(CC1)CCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_3390.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3340 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 C[C@@H](C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)C=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-[1-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226193 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(CC1)CCCOCCOCCO [R1]OC1CCN(CC1)CCCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C OCCOCCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3391.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_16.sdf 3341 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO [H][C@@]1(CC[C@]([H])(CC1)C1=C2C=C(F)C=CC2=NC=C1)[C@@H](C)C(=O)NC1=CC=C(OC2CCN(CCCOCCOCCOC3=CC(=CC=C3CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C3=C(C)N=CS3)CC2)C=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCCN3CCC(OC4=CC=C(NC(=O)[C@H](C)[C@H]5CC[C@@H](C6=CC=NC7=CC=C(F)C=C76)CC5)C=C4)CC3)=C2)SC=N1 (2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-N-[[2-[2-[2-[3-[4-[4-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]piperidin-1-yl]propoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide NU226194 [H][C@]1([C@H](C(NC2=CC=C([R1])C=C2)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OC1CCN(CC1)CCCOCCOCC [R1]OC1CCN(CC1)CCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]C1=CC=C(C=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C CCOCCOCCCN1CCC(O)CC1 [R1]OC1CCN(CC1)CCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_3392.sdf warhead/warhead_3296.sdf e3_ligand/e3_ligand_1.sdf 3342 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226195 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C(N(C1=O)C2CCC(NC2=O)=O)C3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_238.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_7.sdf 3343 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226196 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCCO [R1]CCOCCOCCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCO [R1]CCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_206.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3344 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCN[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2=CC=C(C=C2)C2=C(C)N=CS2)C(C)(C)C)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide NU226197 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)[C@H](C(C)(C)C)N[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0 0.0 0 linker/linker_238.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_450.sdf 3345 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1 C[C@@H](C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCNC(=O)COC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=C1)[C@H]1CC[C@@H](C2=CC=NC3=CC=C(F)C=C32)CC1 (2R)-N-[4-chloro-3-[2-[2-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide NU226198 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] OCC(NCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCC[R1])CO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCCNC(=O)CO [R1]CCOCCOCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_3396.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_16.sdf 3346 P14902 Indoleamine 2,3-dioxygenase 1 IDO1 IDO INDO C[C@H]([C@H]1CC[C@H](CC1)C1=C2C=C(F)C=CC2=NC=C1)C(=O)NC1=CC=C(Cl)C(OCCOCCOCCOCCOCCOC2=CC(=CC=C2CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)C2=C(C)N=CS2)=C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCOCCOCCOCCOCCOC3=CC(NC(=O)[C@H](C)[C@H]4CC[C@@H](C5=CC=NC6=CC=C(F)C=C65)CC4)=CC=C3Cl)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[2-[2-[2-chloro-5-[[(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]amino]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide NU226199 [H][C@]1([C@H](C(NC2=CC=C(C(O[R1])=C2)Cl)=O)C)CC[C@](CC1)(C3=C4C=C(C=CC4=NC=C3)F)[H] CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(C2(CC2)F)=O)=O)O)NCC3=CC=C(C4=C(N=CS4)C)C=C3O[R2] VHL P40337 [R1]OC1=C(C=CC(=C1)NC(=O)[C@@H]([C@H]2CC[C@H](CC2)C3=C4C(=NC=C3)C=CC(=C4)F)C)Cl CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 0 0.0 0 linker/linker_238.sdf warhead/warhead_3311.sdf e3_ligand/e3_ligand_1.sdf 3347 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 2 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 67/58 62.5 0 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3348 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 2 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 97/98 97.5 1 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3349 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 2 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/98 99.0 1 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3350 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 3 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 81/65 73.0 1 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3351 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 3 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 94/92 93.0 1 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3352 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 3 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C CCCCCN [R1]CCCCCN[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCN [R1]CCCCCN[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/100 100.0 1 linker/linker_188.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3353 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 4 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 90/78 84.0 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3354 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 4 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 91/93 92.0 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3355 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 4 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 97/100 98.5 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3356 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 5 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 91/78 84.5 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3357 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 5 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 93/91 92.0 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3358 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 5 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CCNCC1 O=C(NCCCCC[R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CCNCC1 [R1]CCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 99/90 94.5 1 linker/linker_3404.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_16.sdf 3359 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 6 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CNC1 O=C(NCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CNC1 [R1]CCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 56/39 47.5 0 linker/linker_3410.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3360 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 6 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CNC1 O=C(NCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CNC1 [R1]CCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 92/89 90.5 1 linker/linker_3410.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3361 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 6 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCC)C1CNC1 O=C(NCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)C1CNC1 [R1]CCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/100 100.0 1 linker/linker_3410.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3362 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(CNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 7 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C NCC(NCCCCC)=O O=C(CN[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CN [R1]CCCCCNC(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 87/65 76.0 1 linker/linker_3413.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3363 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(CNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 7 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C NCC(NCCCCC)=O O=C(CN[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CN [R1]CCCCCNC(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 91/92 91.5 1 linker/linker_3413.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3364 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(CNC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)CNC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 7 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C NCC(NCCCCC)=O O=C(CN[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CN [R1]CCCCCNC(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/100 100.0 1 linker/linker_3413.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3365 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(COC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 8 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C OCC(NCCCCC)=O O=C(CO[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CO [R1]CCCCCNC(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 83/73 78.0 1 linker/linker_997.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3366 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(COC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 8 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C OCC(NCCCCC)=O O=C(CO[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CO [R1]CCCCCNC(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 89/91 90.0 1 linker/linker_997.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3367 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCNC(COC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3)=O)=C2)C1)N[C@@H]6CCCC7=C6C=CC=C7 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCNC(=O)COC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]pentoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 8 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C OCC(NCCCCC)=O O=C(CO[R2])NCCCCC[R1] [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCNC(=O)CO [R1]CCCCCNC(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100/100 100.0 1 linker/linker_997.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3368 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]propoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 9 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCC)C1CCNCC1 O=C(NCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCNC(=O)C1CCNCC1 [R1]CCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 52/13 32.5 0 linker/linker_3419.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3369 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]propoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 9 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCC)C1CCNCC1 O=C(NCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCNC(=O)C1CCNCC1 [R1]CCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 92/95 93.5 1 linker/linker_3419.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3370 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[3-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]propoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 9 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCC)C1CCNCC1 O=C(NCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCNC(=O)C1CCNCC1 [R1]CCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 97/100 98.5 1 linker/linker_3419.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3371 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCOCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[2-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]ethoxy]ethoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 10 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCOCC)C1CCNCC1 O=C(NCCOCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCOCCNC(=O)C1CCNCC1 [R1]CCOCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0/0 0.0 0 linker/linker_3422.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3372 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCOCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[2-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]ethoxy]ethoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 10 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCOCC)C1CCNCC1 O=C(NCCOCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCOCCNC(=O)C1CCNCC1 [R1]CCOCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 94/93 93.5 1 linker/linker_3422.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3373 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCOCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCOCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[2-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]ethoxy]ethoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 10 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCOCC)C1CCNCC1 O=C(NCCOCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCOCCNC(=O)C1CCNCC1 [R1]CCOCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 99/94 96.5 1 linker/linker_3422.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3374 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 11 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CCNCC1 O=C(NCCCCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CCNCC1 [R1]CCCCCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 95/82 88.5 1 linker/linker_3425.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3375 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 11 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CCNCC1 O=C(NCCCCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CCNCC1 [R1]CCCCCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 96/97 96.5 1 linker/linker_3425.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3376 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CCN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)CC3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 11 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CCNCC1 O=C(NCCCCCCCC[R1])C1CCN([R2])CC1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CCNCC1 [R1]CCCCCCCCNC(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 98/99 98.5 1 linker/linker_3425.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3377 P98170 X-linked inhibitor of apoptosis protein XIAP IAP3 BIRC4 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 12 TD-1092 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CNC1 O=C(NCCCCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CNC1 [R1]CCCCCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 99/99 99.0 1 linker/linker_3428.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3378 Q13490 Cellular inhibitor of apoptosis protein 1 cIAP1 BIRC2 RNF48 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 12 TD-1092 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CNC1 O=C(NCCCCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CNC1 [R1]CCCCCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 87/90 88.5 1 linker/linker_3428.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3379 Q13489 Cellular inhibitor of apoptosis protein 2 cIAP2 BIRC3 RNF49 O=C([C@H]1N(C([C@@H](NC([C@@H](NC)C)=O)C(C)(C)C)=O)CC2=C(C=CC(OCCCCCCCCNC(C3CN(C4=CC5=C(C(N(C(CC6)C(NC6=O)=O)C5=O)=O)C=C4)C3)=O)=C2)C1)N[C@@H]7CCCC8=C7C=CC=C8 CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC2=CC(OCCCCCCCCNC(=O)C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)=CC=C2C[C@H]1C(=O)N[C@@H]1CCCC2=CC=CC=C21)C(C)(C)C (3S)-2-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-7-[8-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidine-3-carbonyl]amino]octoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide 12 TD-1092 CC(C)([C@@H](C(N1[C@@H](CC2=C(C=C(C=C2)O[R1])C1)C(N[C@H]3C4=C(CCC3)C=CC=C4)=O)=O)NC([C@H](C)NC)=O)C O=C(NCCCCCCCC)C1CNC1 O=C(NCCCCCCCC[R1])C1CN([R2])C1 [R2]C1=CC2=C(C=C1)C(N(C2=O)C(C(N3)=O)CCC3=O)=O CRBN Q96SW2 [R1]OC1=CC2=C(C[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C)NC)C(=O)N[C@@H]3CCCC4=CC=CC=C34)C=C1 CCCCCCCCNC(=O)C1CNC1 [R1]CCCCCCCCNC(=O)C1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 90/97 93.5 1 linker/linker_3428.sdf warhead/warhead_3398.sdf e3_ligand/e3_ligand_616.sdf 3380 Q9ULX9 Musculoaponeurotic fibrosarcoma oncogene homologue F MAFF O[C@H]1[C@H](C[C@@]2(C(/C(=C/[C@@]3([C@](CCC(=C)[C@@H](C21)OCC1=CN(CCOCCOCCOCCNC2C=CC=C4C=2C(=O)N(C2C(=O)NC(CC2)=O)C4=O)N=N1)([C@@]3(C)C)[H])[H])/C)=O)O)C C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)C3[C@H]1OCC1=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N1)C2(C)C 4-[2-[2-[2-[2-[4-[[(1R,3E,5R,7S,11R,13S,14S)-1,13-dihydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-11-tricyclo[10.3.0.0^5,7]pentadec-3-enyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione ZCY-PROTAC O[C@H]1[C@@H](C)C[C@@]2(O)C1[C@@H](O[R1])C(CC[C@@]3([H])[C@@](C3(C)C)([H])/C=C(C2=O)\C)=C CC1=CN(N=N1)CCOCCOCCOCC [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] O=C(N1C2C(NC(CC2)=O)=O)C3=C(C=CC=C3C1=O)N[R2] CRBN Q96SW2 [R1]O[C@@H]1C2[C@H]([C@H](C[C@@]2(C(=O)/C(=C/[C@@H]3[C@@H](C3(C)C)CCC1=C)/C)O)C)O CCOCCOCCOCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8340 8340.0 0 linker/linker_359.sdf warhead/warhead_3431.sdf e3_ligand/e3_ligand_7.sdf 3381 Q06187 Bruton's tyrosine kinase BTK BPK ATK NC(C1=NC=C(N2C[C@H](N3CCN(C3=O)C)CCC2)N=C1NC4=CC=C(C5CCN(CC5)C[C@@H]6CN(CC6)C7=CC(C(N8C9CCC(NC9=O)=O)=O)=C(C=C7)C8=O)C=C4)=O CN1CCN([C@@H]2CCCN(C3=CN=C(C(N)=O)C(NC4=CC=C(C5CCN(C[C@H]6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)=N3)C2)C1=O 3-[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide NRX-0492 NC(C1=NC=C(N2C[C@H](N3CCN(C3=O)C)CCC2)N=C1NC4=CC=C(C5CCN([R1])CC5)C=C4)=O C[C@@H]1CNCC1 [R1]C[C@@H]1CN([R2])CC1 [R2]C1=CC(C(N2C3CCC(NC3=O)=O)=O)=C(C=C1)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC=C(C=C2)NC3=NC(=CN=C3C(=O)N)N4CCC[C@H](C4)N5CCN(C5=O)C C[C@H]1CCNC1 [R1]C[C@H]1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.1 0.1 1 linker/linker_3432.sdf warhead/warhead_3432.sdf e3_ligand/e3_ligand_616.sdf 3382 Q06187 Bruton's tyrosine kinase C481S BTK C481S NC(C1=NC=C(N2C[C@H](N3CCN(C3=O)C)CCC2)N=C1NC4=CC=C(C5CCN(CC5)C[C@@H]6CN(CC6)C7=CC(C(N8C9CCC(NC9=O)=O)=O)=C(C=C7)C8=O)C=C4)=O CN1CCN([C@@H]2CCCN(C3=CN=C(C(N)=O)C(NC4=CC=C(C5CCN(C[C@H]6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C=C4)=N3)C2)C1=O 3-[4-[1-[[(3R)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide NRX-0492 NC(C1=NC=C(N2C[C@H](N3CCN(C3=O)C)CCC2)N=C1NC4=CC=C(C5CCN([R1])CC5)C=C4)=O C[C@@H]1CNCC1 [R1]C[C@@H]1CN([R2])CC1 [R2]C1=CC(C(N2C3CCC(NC3=O)=O)=O)=C(C=C1)C2=O CRBN Q96SW2 [R1]N1CCC(CC1)C2=CC=C(C=C2)NC3=NC(=CN=C3C(=O)N)N4CCC[C@H](C4)N5CCN(C5=O)C C[C@H]1CCNC1 [R1]C[C@H]1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0.2 0.2 1 linker/linker_3432.sdf warhead/warhead_3432.sdf e3_ligand/e3_ligand_616.sdf 3383 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](C2=CC(N3CCC(CN4CCC(O[C@H]5C[C@H](OC6=NC=CC(N7C8CN(C9=CC(C%10=CC=CC=C%10O)=NN=C9N)CC7CC8)=C6)C5)CC4)CC3)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C%11=CC=C(C%12=C(C)N=CS%12)C=C%11)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide A947 OC1=CC=CC=C1C2=NN=C(N)C(N3CC4N([R1])C(CC4)C3)=C2 C1(O[C@H]2C[C@H](OC3CCN(CC4CCNCC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@H]2C[C@H](OC3CCN(CC4CCN([R2])CC4)CC3)C2)=NC=C1 O=C([C@H]1N(C([C@@H](C2=CC([R2])=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CC4CCNCC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CC4CCN(CC4)[R2] [R2]C1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)O 0.039 0.039 1 linker/linker_3434.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_2984.sdf 3384 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](C2=CC(N3CCC(CN4CCC(O[C@H]5C[C@H](OC6=NC=CC(N7C8CN(C9=CC(C%10=CC=CC=C%10O)=NN=C9N)CC7CC8)=C6)C5)CC4)CC3)=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C%11=CC=C(C%12=C(C)N=CS%12)C=C%11)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide A947 OC1=CC=CC=C1C2=NN=C(N)C(N3CC4N([R1])C(CC4)C3)=C2 C1(O[C@H]2C[C@H](OC3CCN(CC4CCNCC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@H]2C[C@H](OC3CCN(CC4CCN([R2])CC4)CC3)C2)=NC=C1 O=C([C@H]1N(C([C@@H](C2=CC([R2])=NO2)C(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CC4CCNCC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CC4CCN(CC4)[R2] [R2]C1=NOC(=C1)[C@@H](C(C)C)C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)O 1.1 1.1 1 linker/linker_3434.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_2984.sdf 3385 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(CN(CC6)CCC6O[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 19 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CC4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CC4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CC4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CC4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.039 0.039 1 linker/linker_3436.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 3386 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(CN(CC6)CCC6O[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 19 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CC4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CC4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CC4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CC4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 1.1 1.1 1 linker/linker_3436.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 3387 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(N1)=C(C(NCCOCCOCC(N[C@H](C(N2C[C@H](O)C[C@H]2C(NCC3=CC=C(C4=C(N=CS4)C)C=C3)=O)=O)C(C)(C)C)=O)=O)C(C)=C1/C=C5C(NC6=CC=C(F)C=C\56)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCNC(=O)C3=C(C)[NH]C(/C=C4\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide 5 [R1]C1=C(C)NC(/C=C2C3=C(NC/2=O)C=CC(F)=C3)=C1C COCCOCCNC=O O=C([R1])NCCOCCOC[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)=O)C(C)(C)C VHL P40337 [R1]C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C COCCOCCNC=O [R1]C(=O)NCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2900/11600/13100 9200.0 0 linker/linker_3438.sdf warhead/warhead_3438.sdf e3_ligand/e3_ligand_27.sdf 3388 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C1NC2=CC=C(C=C2/C1=C/C3=C(C(C(NCCN(CC(N[C@H](C(N4C[C@H](O)C[C@H]4C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)C(C)(C)C)=O)CC)=O)=C(N3)C)C)F CCN(CCNC(=O)C1=C(C)[NH]C(/C=C2\C(=O)NC3=CC=C(F)C=C23)=C1C)CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C N-[2-[ethyl-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide 6 [R1]C1=C(C)NC(/C=C2C3=C(NC/2=O)C=CC(F)=C3)=C1C O=CNCCN(CC)C O=C([R1])NCCN(CC)C[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)=O)C(C)(C)C VHL P40337 [R1]C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C CCN(C)CCNC=O [R1]C(=O)NCCN(C[R2])CC [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 36500/8400/26500 23800.0 0 linker/linker_3439.sdf warhead/warhead_3438.sdf e3_ligand/e3_ligand_27.sdf 3389 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 CC(N1)=C(C(NCCOCCOCCOCC(N[C@H](C(N2C[C@H](O)C[C@H]2C(NCC3=CC=C(C4=C(N=CS4)C)C=C3)=O)=O)C(C)(C)C)=O)=O)C(C)=C1/C=C5C(NC6=CC=C(F)C=C\56)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C3=C(C)[NH]C(/C=C4\C(=O)NC5=CC=C(F)C=C45)=C3C)C(C)(C)C)C=C2)SC=N1 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide 12 [R1]C1=C(C)NC(/C=C2C3=C(NC/2=O)C=CC(F)=C3)=C1C COCCOCCOCCNC=O O=C([R1])NCCOCCOCCOC[R2] O=C([R2])N[C@H](C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)O)=O)C(C)(C)C VHL P40337 [R1]C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C COCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 12700/15200/18100 15333.333333333334 0 linker/linker_367.sdf warhead/warhead_3438.sdf e3_ligand/e3_ligand_27.sdf 3390 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCC(NCCCOC5=CC=CC(C(N6C(C(N7)=O)CCC7=O)=O)=C5C6=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropylamino]-2-oxoethyl]acetamide 27 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 NCC(NCCCO)=O [R1]NCC(NCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(=O)NCCCO [R1]NCC(=O)NCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 97.1 97.1 1 linker/linker_3441.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3391 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCC(NCCCCOC5=CC=CC(C(N6C(C(N7)=O)CCC7=O)=O)=C5C6=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutylamino]-2-oxoethyl]acetamide 28 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 NCC(NCCCCO)=O [R1]NCC(NCCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(=O)NCCCCO [R1]NCC(=O)NCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 134 134.0 1 linker/linker_3442.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3392 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)NCC(NCCCCCOC5=CC=CC(C(N6C(C(N7)=O)CCC7=O)=O)=C5C6=O)=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC(=O)NCCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentylamino]-2-oxoethyl]acetamide 29 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 NCC(NCCCCCO)=O [R1]NCC(NCCCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC(=O)NCCCCCO [R1]NCC(=O)NCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 184 184.0 1 linker/linker_3443.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3393 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1CCN(CC1)CC(NCCCOC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1 2-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypropyl]acetamide 32 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCO)CN1CCNCC1 [R1]N1CCN(CC1)CC(NCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C O=C(CN1CCNCC1)NCCCO [R1]N1CCN(CC1)CC(=O)NCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 239 239.0 1 linker/linker_3444.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3394 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1CCN(CC1)CC(NCCCCOC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1 2-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutyl]acetamide 33 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCO)CN1CCNCC1 [R1]N1CCN(CC1)CC(NCCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C O=C(CN1CCNCC1)NCCCCO [R1]N1CCN(CC1)CC(=O)NCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 89.9 89.9 1 linker/linker_3445.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3395 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(N1CCN(CC1)CC(NCCCCCOC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C[C@H]5C6=NN=C(C)N6C7=C(C(C)=C(C)S7)C(C8=CC=C(Cl)C=C8)=N5 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCN(CC(=O)NCCCCCOC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC1)N=C2C1=CC=C(Cl)C=C1 2-[4-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperazin-1-yl]-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentyl]acetamide 34 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 O=C(NCCCCCO)CN1CCNCC1 [R1]N1CCN(CC1)CC(NCCCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C O=C(CN1CCNCC1)NCCCCCO [R1]N1CCN(CC1)CC(=O)NCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 60 60.0 1 linker/linker_3446.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3396 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(OCC(NCCCCOC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C[C@H]4C5=NN=C(C)N5C6=C(C(C)=C(C)S6)C(C7=CC=C(Cl)C=C7)=N4 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)OCC(=O)NCCCCOC1=CC=CC3=C1C(=O)N(C1CCC(=O)NC1=O)C3=O)N=C2C1=CC=C(Cl)C=C1 [2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutylamino]-2-oxoethyl] 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate 37 O=C([R1])C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1 OCC(NCCCCO)=O [R1]OCC(NCCCCO[R2])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C O=C(CO)NCCCCO [R1]OCC(=O)NCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 62 62.0 1 linker/linker_2694.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_16.sdf 3397 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(NCCCCC1CCN(C(C2=CC=C(N3CCN(C(CCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)=O)CC1)/C=C/C7=CC=CN=C7 O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1 (E)-N-[4-[1-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoyl]piperazin-1-yl]benzoyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide PROTAC-3 O=C(N1CCC(CC1)CCCCNC(/C=C/C2=CC=CN=C2)=O)C3=CC=C(C=C3)[R1] O=C(CCCC)N1CCNCC1 O=C(CCCC[R2])N1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.443 1.443 1 linker/linker_3448.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_7.sdf 3398 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(NCCCCC1CCN(C(C2=CC=C(N3CCN(C(CCCCCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)=O)CC1)/C=C/C7=CC=CN=C7 O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1 (E)-N-[4-[1-[4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptanoyl]piperazin-1-yl]benzoyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide PROTAC-4 O=C(N1CCC(CC1)CCCCNC(/C=C/C2=CC=CN=C2)=O)C3=CC=C(C=C3)[R1] O=C(CCCCCC)N1CCNCC1 O=C(CCCCCC[R2])N1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 CCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <1 1.0 1 linker/linker_3449.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_7.sdf 3399 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(NCCCCC1CCN(C(C2=CC=C(N3CCN(C(CCCCCCNC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O)CC3)C=C2)=O)CC1)/C=C/C7=CC=CN=C7 O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(C(=O)CCCCCCNC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1 (E)-N-[4-[1-[4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]heptanoyl]piperazin-1-yl]benzoyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide PROTAC-10 O=C(N1CCC(CC1)CCCCNC(/C=C/C2=CC=CN=C2)=O)C3=CC=C(C=C3)[R1] O=C(N1CCNCC1)CCCCCCN O=C(CCCCCCN[R2])N1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 NCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCN[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 5.85 5.85 1 linker/linker_3450.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_18.sdf 3400 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(NCCCCC1CCN(C(C2=CC=C(N3CCN(CCCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)CC3)C=C2)=O)CC1)/C=C/C7=CC=CN=C7 O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(CCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1 (E)-N-[4-[1-[4-[4-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hept-6-ynyl]piperazin-1-yl]benzoyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide PROTAC-11 SIAIS630120 O=C(N1CCC(CC1)CCCCNC(/C=C/C2=CC=CN=C2)=O)C3=CC=C(C=C3)[R1] C#CCCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 C#CCCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O <1 4.456/8.565/2.964 1.0 5.328333333333334 1 linker/linker_3451.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_18.sdf 3401 P43490 Nicotinamide phosphoribosyltransferase NAMPT Visfatin Pre-B cell-enhancing factor O=C(NCCCCC1CCN(C(C2=CC=C(N3CCN(CCCCCCC#CC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)CC3)C=C2)=O)CC1)/C=C/C7=CC=CN=C7 O=C(/C=C/C1=CC=CN=C1)NCCCCC1CCN(C(=O)C2=CC=C(N3CCN(CCCCCCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)CC1 (E)-N-[4-[1-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oct-7-ynyl]piperazin-1-yl]benzoyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide PROTAC-12 SIAIS630121 O=C(N1CCC(CC1)CCCCNC(/C=C/C2=CC=CN=C2)=O)C3=CC=C(C=C3)[R1] C#CCCCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCCCC#C[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/C3=CN=CC=C3 C#CCCCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O <1 3.968/8.497/4.681 1.0 5.715333333333334 1 linker/linker_3452.sdf warhead/warhead_2498.sdf e3_ligand/e3_ligand_18.sdf 3402 Q00987 Mouse double minute 2 homolog MDM2 Hdm2 O=C(O)C[C@]1(C)C(N([C@@H](C(C)(C)C)CS(=O)(N2CCN(C(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)CC2)=O)[C@H](C6=CC=C(Cl)C=C6)[C@@H](C7=CC=CC(Cl)=C7)C1)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCC(=O)N3CCN(S(=O)(=O)C[C@@H](N4C(=O)[C@@](C)(CC(=O)O)C[C@H](C5=CC=CC(Cl)=C5)[C@H]4C4=CC=C(Cl)C=C4)C(C)(C)C)CC3)C(C)(C)C)C=C2)SC=N1 2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-[4-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecanoyl]piperazin-1-yl]sulfonyl-3,3-dimethylbutan-2-yl]-3-methyl-2-oxopiperidin-3-yl]acetic acid 5 MS3227 O=C(O)C[C@]1(C)C(N([C@@H](C(C)(C)C)CS(=O)([R1])=O)[C@H](C2=CC=C(Cl)C=C2)[C@@H](C3=CC=CC(Cl)=C3)C1)=O CCCCCCCCC(N1CCNCC1)=O O=C(N1CCN([R1])CC1)CCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]S(=O)(=O)C[C@H](C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl CCCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 40.2/92.28/113.6 82.02666666666667 1 linker/linker_3453.sdf warhead/warhead_3453.sdf e3_ligand/e3_ligand_27.sdf 3403 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT NC(C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)[C@@H]4CCCN(C(CCOCCOCCOCCNC(CN(C(C5)=O)CCN5C(N6[C@H](C7=CC=C(C=C7)Cl)[C@H](C8=CC=C(C=C8)Cl)N=C6C(C(OC(C)C)=C9)=CC=C9OC)=O)=O)=O)C4)=O COC1=CC=C(C2=N[C@@H](C3=CC=C(Cl)C=C3)[C@@H](C3=CC=C(Cl)C=C3)N2C(=O)N2CCN(CC(=O)NCCOCCOCCOCCC(=O)N3CCC[C@@H](C4=CC=C(N5C=C6C=CC=C(C(N)=O)C6=N5)C=C4)C3)C(=O)C2)C(OC(C)C)=C1 2-[4-[(3S)-1-[3-[2-[2-[2-[[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-3-yl]phenyl]indazole-7-carboxamide NN3 NC(C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)[C@@H]4CCCN([R1])C4)=O CC(NCCOCCOCCOCCC=O)=O [R2]CC(NCCOCCOCCOCCC([R1])=O)=O COC1=CC=C(C(OC(C)C)=C1)C2=N[C@H]([C@H](N2C(N3CCN([R2])C(C3)=O)=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl MDM2 Q00987 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC(=O)NCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCNC(=O)C[R2] [R2]N1CCN(CC1=O)C(=O)N2[C@@H]([C@@H](N=C2C3=C(C=C(C=C3)OC)OC(C)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl 84110/59500/32180 58596.66666666666 0 linker/linker_609.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_3409.sdf 3404 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 13 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCCOCCOCC(N=N1)=CN1C [R1]CN1C=C(N=N1)COCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCO)N=N1 [R1]CN1C=C(N=N1)COCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36.63 36.63 0 linker/linker_3455.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3405 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 14 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCCOCCOCCOCC(N=N1)=CN1C [R1]CN1C=C(N=N1)COCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCO)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47.09 47.09 0 linker/linker_3456.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3406 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 15 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCCOCCOCCOCCOCC(N=N1)=CN1C [R1]CN1C=C(N=N1)COCCOCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCOCCO)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 41.48 41.48 0 linker/linker_3457.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3407 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOCCOCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(OCCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 16 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCCOCCOCCOCCOCCOCC(N=N1)=CN1C [R1]CN1C=C(N=N1)COCCOCCOCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCOCCOCCO)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32.97 32.97 0 linker/linker_3458.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3408 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]methyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 18 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCC(N=N1)=CN1C O=C([R2])CCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34.11 34.11 0 linker/linker_3459.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3409 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 19 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCCOCC(N=N1)=CN1C O=C([R2])CCOCCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 38.13 38.13 0 linker/linker_3460.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3410 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 20 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCCOCCOCC(N=N1)=CN1C O=C([R2])CCOCCOCCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33.79 33.79 0 linker/linker_3461.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3411 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 21 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCCOCCOCCOCC(N=N1)=CN1C O=C([R2])CCOCCOCCOCCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCOCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.03 24.03 0 linker/linker_3462.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3412 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOCCOCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 22 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCCOCCOCCOCCOCC(N=N1)=CN1C O=C([R2])CCOCCOCCOCCOCCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCOCCOCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29.1 29.1 0 linker/linker_3463.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3413 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CN4N=NC(COCCOCCOCCOCCOCCOCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=C4)C=C3)=O)CC8=CNC9=C8C=CC=C9 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CCOCCOCCOCCOCCOCCOCC4=CN(CC5=CC=C(S(=O)(=O)N[C@@H](CC6=C[NH]C7=CC=CC=C67)C(=O)NC6=CC=C(N7CCOCC7)C=C6)C=C5)N=N4)=C3C2=O)C(=O)N1 (2S)-2-[[4-[[4-[2-[2-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 23 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCCOCCOCCOCCOCCOCCOCC(N=N1)=CN1C O=C([R2])CCOCCOCCOCCOCCOCCOCC(N=N1)=CN1C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CN1C=C(COCCOCCOCCOCCOCCOCCC=O)N=N1 [R1]CN1C=C(N=N1)COCCOCCOCCOCCOCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23.61 23.61 0 linker/linker_3464.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3414 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 25 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCC(NCCCCNC=O)=O O=C(CO[R2])NCCCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CNCCCCNC(=O)CO [R1]C(=O)NCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 46.16 46.16 0 linker/linker_2348.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3415 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCCNC(COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C(COC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCOCCOCCNC(=O)C1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 N-[2-[2-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]ethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 26 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O OCC(NCCOCCOCCNC=O)=O O=C(CO[R2])NCCOCCOCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CNCCOCCOCCNC(=O)CO [R1]C(=O)NCCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 46.39 46.39 0 linker/linker_3466.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_16.sdf 3416 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 28 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCOCCNC=O O=C([R2])COCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CCOCCNC=O [R1]C(=O)NCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35.88 35.88 0 linker/linker_3467.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3417 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 29 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCOCCOCCNC=O O=C([R2])COCCOCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CCOCCOCCNC=O [R1]C(=O)NCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.65 24.65 0 linker/linker_3468.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3418 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCCOCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 30 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCOCCOCCOCCNC=O O=C([R2])COCCOCCOCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.37 24.37 0 linker/linker_373.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3419 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCCOCCOCCOCC(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 31 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O O=CCOCCOCCOCCOCCOCCNC=O O=C([R2])COCCOCCOCCOCCOCCNC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 O=CCOCCOCCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14.84 14.84 0 linker/linker_3470.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3420 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 33 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CCOCCOCCNC=O O=C([R1])NCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCOCCOCCNC=O [R1]C(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32.4 32.4 0 linker/linker_556.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3421 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C4=CC=C(S(=O)(N[C@@H](CC5=CNC6=C5C=CC=C6)C(NC7=CC=C(N8CCOCC8)C=C7)=O)=O)C=C4 O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCOCCNC(=O)C4=CC=C(S(=O)(=O)N[C@@H](CC5=C[NH]C6=CC=CC=C56)C(=O)NC5=CC=C(N6CCOCC6)C=C5)C=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]benzamide 34 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34.01 34.01 0 linker/linker_1773.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3422 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCC1=CC=C(S(=O)(N[C@@H](CC2=CNC3=C2C=CC=C3)C(NC4=CC=C(N5CCOCC5)C=C4)=O)=O)C=C1)CCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O O=C(CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]phenyl]methyl]butanamide 36 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CNC(CCC)=O O=C(CCC[R2])NC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCCC(=O)NC [R1]CNC(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37.5 37.5 0 linker/linker_3473.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3423 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NCC1=CC=C(S(=O)(N[C@@H](CC2=CNC3=C2C=CC=C3)C(NC4=CC=C(N5CCOCC5)C=C4)=O)=O)C=C1)CCCCCCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O O=C(CCCCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[[4-[[(2S)-3-(1H-indol-3-yl)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]sulfamoyl]phenyl]methyl]decanamide 37 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CNC(CCCCCCCCC)=O O=C(CCCCCCCCC[R2])NC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCCCCCCCCC(=O)NC [R1]CNC(=O)CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 31.73 31.73 0 linker/linker_1413.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3424 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CNC(CCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3)=O)CC7=CNC8=C7C=CC=C8 O=C(CCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 (2S)-2-[[4-[[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoylamino]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 39 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CCOCCC(NC)=O O=C(CCOCC[R2])NC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCOCCC(=O)NC [R1]CNC(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 40.03 40.03 0 linker/linker_3475.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3425 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CNC(CCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3)=O)CC7=CNC8=C7C=CC=C8 O=C(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 (2S)-2-[[4-[[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoylamino]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 40 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CCOCCOCCC(NC)=O O=C(CCOCCOCC[R2])NC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCOCCOCCC(=O)NC [R1]CNC(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 44.61 44.61 0 linker/linker_3476.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3426 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCOCC2)C=C1)[C@@H](NS(=O)(C3=CC=C(CNC(CCOCCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3)=O)CC7=CNC8=C7C=CC=C8 O=C(CCOCCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCOCC3)C=C2)C=C1 (2S)-2-[[4-[[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoylamino]methyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide 41 O=S(C1=CC=C([R1])C=C1)(N[C@H](C(NC2=CC=C(C=C2)N3CCOCC3)=O)CC4=CNC5=C4C=CC=C5)=O CCOCCOCCOCCC(NC)=O O=C(CCOCCOCCOCC[R2])NC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)N5CCOCC5 CCOCCOCCOCCC(=O)NC [R1]CNC(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 37.8 37.8 0 linker/linker_3477.sdf warhead/warhead_3455.sdf e3_ligand/e3_ligand_7.sdf 3427 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(C(CCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 44 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 CCCC(N1CCNCC1)=O O=C(N1CCN([R1])CC1)CCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C CCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51.1 51.1 0 linker/linker_1993.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3428 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(C(CCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 45 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=C(N1CCNCC1)CCOCC O=C(N1CCN([R1])CC1)CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C CCOCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51.99 51.99 0 linker/linker_3479.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3429 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(C(CCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 46 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=C(N1CCNCC1)CCOCCOCC O=C(N1CCN([R1])CC1)CCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C CCOCCOCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.79 45.79 0 linker/linker_3480.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3430 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(C(CCOCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 47 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=C(N1CCNCC1)CCOCCOCCOCC O=C(N1CCN([R1])CC1)CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C CCOCCOCCOCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 39.74 39.74 0 linker/linker_3481.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3431 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(C(CCOCCOCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(C(=O)CCOCCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 48 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 CCOCCOCCOCCOCCC(N1CCNCC1)=O O=C(N1CCN([R1])CC1)CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C CCOCCOCCOCCOCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26.11 26.11 0 linker/linker_3482.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3432 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(CCC(NC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 (2S)-N-[4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropyl]piperazin-1-yl]phenyl]-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanamide 51 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=CCCN1CCNCC1 O=C([R2])CCN1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C O=CCCN1CCNCC1 [R1]N1CCN(CC1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.5 25.5 0 linker/linker_3483.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3433 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(CCCC(NC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-4-[4-[4-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]piperazin-1-yl]butanamide 52 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=CCCCN1CCNCC1 O=C([R2])CCCN1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C O=CCCCN1CCNCC1 [R1]N1CCN(CC1)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35.33 35.33 0 linker/linker_3484.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3434 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(CCCCC(NC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[4-[4-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]piperazin-1-yl]pentanamide 53 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=CCCCCN1CCNCC1 O=C([R2])CCCCN1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C O=CCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 44.44 44.44 0 linker/linker_3485.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3435 Q13155 Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 AIMP2 JTV1 PRO0992 O=C(NC1=CC=C(N2CCN(CCCCCC(NC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)CC2)C=C1)[C@@H](NS(=O)(C6=CC=C(C)C=C6)=O)CC7=CNC8=C7C=CC=C8 CC1=CC=C(S(=O)(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)NC2=CC=C(N3CCN(CCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[4-[4-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]phenyl]piperazin-1-yl]hexanamide 54 O=C(NC1=CC=C([R1])C=C1)[C@@H](NS(=O)(C2=CC=C(C)C=C2)=O)CC3=CNC4=C3C=CC=C4 O=CCCCCCN1CCNCC1 O=C([R2])CCCCCN1CCN([R1])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)C O=CCCCCCN1CCNCC1 [R1]N1CCN(CC1)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42.53 42.53 0 linker/linker_3486.sdf warhead/warhead_3478.sdf e3_ligand/e3_ligand_7.sdf 3436 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C1C2=CC=C(C=C2C(=O)N1C1CCC(=O)NC1=O)N1CCC(CC1)CN1CCC2C=CC(=CC=2C1)NC1N=C2C(C(NC3C(C)=CC=CC=3C)=NN2C)=CN=1 CC1=CC=CC(C)=C1NC1=NN(C)C2=NC(NC3=CC=C4CCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4=C3)=NC=C12 5-[4-[[7-[[3-(2,6-dimethylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione UBX-382 UBX-382 CC1=CC=CC(C)=C1NC2=NN(C)C3=NC(NC4=CC5=C(C=C4)CCN([R1])C5)=NC=C32 CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C1C2=CC=C([R2])C=C2C(N1C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]N1CCC2=C(C1)C=C(C=C2)NC3=NC=C4C(=NN(C4=N3)C)NC5=C(C=CC=C5C)C CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.56 14/18/199 4.56 77.0 1 linker/linker_1946.sdf warhead/warhead_3487.sdf e3_ligand/e3_ligand_616.sdf 3437 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 N(C(COC1=CC=CC2=C1C(=O)N(C2=O)C1CCC(=O)NC1=O)=O)CCOCCOCCN1CCC(CC1)N1C=NC(C2=CC=C(C=C2)C(F)(F)F)=C1C1=CC=NC(OC2=CC(=CC=C2C)C(C)C)=N1 CC1=CC=C(C(C)C)C=C1OC1=NC=CC(C2=C(C3=CC=C(C(F)(F)F)C=C3)N=CN2C2CCN(CCOCCOCCNC(=O)COC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)=N1 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[2-[2-[2-[4-[5-[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-4-yl]-4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]acetamide dBRD4-BD1 dBRD4-BD1 CC1=C(OC2=NC=CC(C3=C(C4=CC=C(C(F)(F)F)C=C4)N=CN3C5CCN([R1])CC5)=N2)C=C(C(C)C)C=C1 CCOCCOCCNC(CO)=O O=C(NCCOCCOCC[R1])CO[R2] O=C(N1)C(N(C(C2=C3C=CC=C2[R2])=O)C3=O)CCC1=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)OC4=C(C=CC(=C4)C(C)C)C)C5=CC=C(C=C5)C(F)(F)F CCOCCOCCNC(=O)CO [R1]CCOCCOCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 280 280.0 1 linker/linker_1176.sdf warhead/warhead_3488.sdf e3_ligand/e3_ligand_16.sdf 3438 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(CCCCCCCCCCC(NC1=NNC2=C1C=CC(C3=CN(N=C3)CC(NC4=CC=C(C(C(F)(F)F)=C4)C)=O)=C2)=O)N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@H](C5)O)C(NCC6=CC=C(C=C6)C7=C(N=CS7)C)=O)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]dodecanediamide P1 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCCCCCC [R1]CCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/>100000/>50000 66666.66666666667 0 linker/linker_35.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3439 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]butanediamide P2 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CC)NC1=CC=CC=C1 O=C(CC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/48190/28210 42133.333333333336 0 linker/linker_3490.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3440 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]hexanediamide P3 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCC)NC1=CC=CC=C1 O=C(CCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 330 10090/46830/13040 330.0 23320.0 1 linker/linker_3491.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3441 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]heptanediamide P4 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCC)NC1=CC=CC=C1 O=C(CCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3330 7260/>100000/>50000 3330.0 52420.0 0 linker/linker_3492.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3442 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]octanediamide P5 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCC)NC1=CC=CC=C1 O=C(CCCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 280 4360/17870/4130 280.0 8786.666666666666 1 linker/linker_3493.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3443 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]nonanediamide P6 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCC)NC1=CC=CC=C1 O=C(CCCCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 10720/>100000/>50000 3330.0 53573.333333333336 0 linker/linker_3494.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3444 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]decanediamide P7 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCCC)NC1=CC=CC=C1 O=C(CCCCCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 84/510 2030/14470/7070 297.0 7856.666666666667 1 linker/linker_3495.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3445 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]undecanediamide P8 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCCCC)NC1=CC=CC=C1 O=C(CCCCCCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. 55550/>100000/>50000 68516.66666666667 0 linker/linker_3496.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3446 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)CCCCCCCCCCC(NC4=CC=C(C(NC5=NNC6=C5C=CC(C7=CN(CC(NC8=CC=C(C)C(C(F)(F)F)=C8)=O)N=C7)=C6)=O)C=C4)=O CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]dodecanediamide P9 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCCCCC)NC1=CC=CC=C1 O=C(CCCCCCCCCC[R2])NC1=CC=C([R1])C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCCCC(=O)NC1=CC=CC=C1 [R1]C1=CC=C(C=C1)NC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 890 5130/9450/17630 890.0 10736.666666666666 1 linker/linker_3497.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3447 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCN2CCN(C(CCCCC(NC3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-[4-[6-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]anilino]-6-oxohexanoyl]piperazin-1-yl]butanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P11 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCN1CCN(C(CCCCC(NC2=CC=CC=C2)=O)=O)CC1 O=C(N1CCN(CCC[R2])CC1)CCCCC(NC2=CC=C([R1])C=C2)=O O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCN1CCN(C(=O)CCCCC(=O)NC2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC(=O)N2CCN(CC2)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. 30890/38220/10930 26680.0 0 linker/linker_3498.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3448 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCN2CCN(C(CCCCC(NC3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[6-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]anilino]-6-oxohexanoyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P12 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCN1CCN(C(CCCCC(NC2=CC=CC=C2)=O)=O)CC1 O=C(N1CCN(CCCC[R2])CC1)CCCCC(NC2=CC=C([R1])C=C2)=O O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCN1CCN(C(=O)CCCCC(=O)NC2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC(=O)N2CCN(CC2)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 640 23860/38680/9360 640.0 23966.666666666668 1 linker/linker_3499.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3449 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C(CCCCC(NC3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-[4-[6-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]anilino]-6-oxohexanoyl]piperazin-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P13 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCN1CCN(C(CCCCC(NC2=CC=CC=C2)=O)=O)CC1 O=C(N1CCN(CCCCC[R2])CC1)CCCCC(NC2=CC=C([R1])C=C2)=O O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCN1CCN(C(=O)CCCCC(=O)NC2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC(=O)N2CCN(CC2)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. 23860/>100000/>50000 57953.333333333336 0 linker/linker_3500.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3450 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C(CCCCC(NC3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[7-[4-[6-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]anilino]-6-oxohexanoyl]piperazin-1-yl]heptanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P14 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCCN1CCN(C(CCCCC(NC2=CC=CC=C2)=O)=O)CC1 O=C(N1CCN(CCCCCC[R2])CC1)CCCCC(NC2=CC=C([R1])C=C2)=O O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCN1CCN(C(=O)CCCCC(=O)NC2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC(=O)N2CCN(CC2)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 20390/24140/29620 3330.0 24716.666666666668 0 linker/linker_3501.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3451 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C(CCCCC(NC3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)=O)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(NC(=O)CCCCC(=O)N6CCN(CCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[6-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]anilino]-6-oxohexanoyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P15 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCCCN1CCN(C(CCCCC(NC2=CC=CC=C2)=O)=O)CC1 O=C(N1CCN(CCCCCCC[R2])CC1)CCCCC(NC2=CC=C([R1])C=C2)=O O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCN1CCN(C(=O)CCCCC(=O)NC2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)NC(=O)CCCCC(=O)N2CCN(CC2)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. 44710/31900/24970 33860.0 0 linker/linker_3502.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3452 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCN2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[5-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]pentanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P16 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(N2CCN(CCCC[R2])CC2)C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 >50000/>100000/>50000 3330.0 66666.66666666667 0 linker/linker_3503.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3453 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[6-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]hexanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P17 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(N2CCN(CCCCC[R2])CC2)C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/43790/>50000 47930.0 0 linker/linker_3504.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3454 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCN2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[7-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]heptanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P18 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(N2CCN(CCCCCC[R2])CC2)C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 5500/38610/>50000 3330.0 31370.0 0 linker/linker_3505.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3455 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCN2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(CCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P19 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 CCCCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(N2CCN(CCCCCCC[R2])CC2)C=C1 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCN1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 22570/>100000/>50000 3330.0 57523.333333333336 0 linker/linker_3506.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3456 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCC(N2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[6-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]-6-oxohexanoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P20 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCC)N1CCN(CC1)C2=CC=CC=C2 O=C(CCCC[R2])N1CCN(CC1)C2=CC=C([R1])C=C2 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCC(=O)N1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 >50000/>100000/>100000 3330.0 83333.33333333333 0 linker/linker_3507.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3457 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCC(N2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[8-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]-8-oxooctanoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P21 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCC)N1CCN(CC1)C2=CC=CC=C2 O=C(CCCCCC[R2])N1CCN(CC1)C2=CC=C([R1])C=C2 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCC(=O)N1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/>100000/>100000 83333.33333333333 0 linker/linker_3508.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3458 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCC(N2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[10-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]-10-oxodecanoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P22 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCCC)N1CCN(CC1)C2=CC=CC=C2 O=C(CCCCCCCC[R2])N1CCN(CC1)C2=CC=C([R1])C=C2 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCC(=O)N1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/>100000/>100000 83333.33333333333 0 linker/linker_3509.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3459 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCC(N2CCN(C3=CC=C(C(NC4=NNC5=C4C=CC(C6=CN(CC(NC7=CC=C(C)C(C(F)(F)F)=C7)=O)N=C6)=C5)=O)C=C3)CC2)=O)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N6CCN(C(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)NCC7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C=C5)=N[NH]C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[12-[4-[4-[[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]carbamoyl]phenyl]piperazin-1-yl]-12-oxododecanoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P23 CC1=C(C(F)(F)F)C=C(NC(CN2C=C(C3=CC4=C(C(NC([R1])=O)=NN4)C=C3)C=N2)=O)C=C1 O=C(CCCCCCCCCC)N1CCN(CC1)C2=CC=CC=C2 O=C(CCCCCCCCCC[R2])N1CCN(CC1)C2=CC=C([R1])C=C2 O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]C(=O)NC1=NNC2=C1C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F CCCCCCCCCCC(=O)N1CCN(C2=CC=CC=C2)CC1 [R1]C1=CC=C(C=C1)N2CCN(CC2)C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D. >50000/>100000/>100000 83333.33333333333 0 linker/linker_3510.sdf warhead/warhead_3489.sdf e3_ligand/e3_ligand_27.sdf 3460 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR NC1=CC=C(C(NC2=NN(C3=C2C=CC(C(C=N4)=CN4CC(NC5=CC=C(C(C(F)(F)F)=C5)C)=O)=C3)C(CCCCCCCCC(N[C@@H](C(N6C[C@@H](C[C@H]6C(NCC7=CC=C(C=C7)C8=C(N=CS8)C)=O)O)=O)C(C)(C)C)=O)=O)=O)C=C1 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N)C=C5)=NN(C(=O)CCCCCCCCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2R)-2-[[10-[3-[(4-aminobenzoyl)amino]-6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]indazol-1-yl]-10-oxodecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P24 NC1=CC=C(C(NC2=NN([R1])C3=C2C=CC(C(C=N4)=CN4CC(NC5=CC=C(C(C(F)(F)F)=C5)C)=O)=C3)=O)C=C1 O=CCCCCCCCC O=C([R1])CCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]N1C2=C(C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F)C(=N1)NC(=O)C5=CC=C(C=C5)N CCCCCCCCC=O [R1]C(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >3330 12120/44890/5500 3330.0 20836.666666666668 0 linker/linker_419.sdf warhead/warhead_3511.sdf e3_ligand/e3_ligand_27.sdf 3461 P35968 Vascular endothelial growth factor receptor 2 VEGFR-2 FLK1 KDR NC1=CC=C(C(NC2=NN(C3=C2C=CC(C(C=N4)=CN4CC(NC5=CC=C(C(C(F)(F)F)=C5)C)=O)=C3)C(CCCCCCCCCCC(N[C@@H](C(N6C[C@@H](C[C@H]6C(NCC7=CC=C(C=C7)C8=C(N=CS8)C)=O)O)=O)C(C)(C)C)=O)=O)=O)C=C1 CC1=CC=C(NC(=O)CN2C=C(C3=CC=C4C(NC(=O)C5=CC=C(N)C=C5)=NN(C(=O)CCCCCCCCCCC(=O)N[C@@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)C4=C3)C=N2)C=C1C(F)(F)F (2S,4R)-1-[(2R)-2-[[12-[3-[(4-aminobenzoyl)amino]-6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]indazol-1-yl]-12-oxododecanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide P25 NC1=CC=C(C(NC2=NN([R1])C3=C2C=CC(C(C=N4)=CN4CC(NC5=CC=C(C(C(F)(F)F)=C5)C)=O)=C3)=O)C=C1 O=CCCCCCCCCCC O=C([R1])CCCCCCCCCC[R2] O=C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)[R2] VHL P40337 [R1]N1C2=C(C=CC(=C2)C3=CN(N=C3)CC(=O)NC4=CC(=C(C=C4)C)C(F)(F)F)C(=N1)NC(=O)C5=CC=C(C=C5)N CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 320 1440/25860/34610 320.0 20636.666666666668 1 linker/linker_461.sdf warhead/warhead_3511.sdf e3_ligand/e3_ligand_27.sdf 3462 Q9BV86 N-terminal Xaa-Pro-Lys N-methyltransferase 1 NTMT1 METTL11A NRMT O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4OCCNC(C6=CC=CC=C6NC([C@@H](NC([C@H]7N(C(CC8=C9C=CC=CC9=CC=C8)=O)CCC7)=O)CCCCN)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1 (2S,4R)-N-[[2-[2-[[2-[[(2S)-6-amino-2-[[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]benzoyl]amino]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 1 O=C([R1])C1=CC=CC=C1NC([C@@H](NC([C@H]2N(C(CC3=C4C=CC=CC4=CC=C3)=O)CCC2)=O)CCCCN)=O CCN [R1]NCC[R2] O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4O[R2] VHL P40337 [R1]C(=O)C1=CC=CC=C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC=CC4=CC=CC=C43 CCN [R1]NCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 7530/18100 12815.0 0 linker/linker_140.sdf warhead/warhead_3513.sdf e3_ligand/e3_ligand_180.sdf 3463 Q9BV86 N-terminal Xaa-Pro-Lys N-methyltransferase 1 NTMT1 METTL11A NRMT O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4OCCOCCNC(C6=CC=CC=C6NC([C@@H](NC([C@H]7N(C(CC8=C9C=CC=CC9=CC=C8)=O)CCC7)=O)CCCCN)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[[2-[[(2S)-6-amino-2-[[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]benzoyl]amino]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 2 O=C([R1])C1=CC=CC=C1NC([C@@H](NC([C@H]2N(C(CC3=C4C=CC=CC4=CC=C3)=O)CCC2)=O)CCCCN)=O CCOCCN [R1]NCCOCC[R2] O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4O[R2] VHL P40337 [R1]C(=O)C1=CC=CC=C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC=CC4=CC=CC=C43 CCOCCN [R1]NCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 79700/53700 66700.0 0 linker/linker_2666.sdf warhead/warhead_3513.sdf e3_ligand/e3_ligand_180.sdf 3464 Q9BV86 N-terminal Xaa-Pro-Lys N-methyltransferase 1 NTMT1 METTL11A NRMT O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4OCCOCCOCCOCCNC(C6=CC=CC=C6NC([C@@H](NC([C@H]7N(C(CC8=C9C=CC=CC9=CC=C8)=O)CCC7)=O)CCCCN)=O)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCOCCOCCNC(=O)C3=CC=CC=C3NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)CC3=CC=CC4=CC=CC=C34)=C2)SC=N1 (2S,4R)-N-[[2-[2-[2-[2-[2-[[2-[[(2S)-6-amino-2-[[(2S)-1-(2-naphthalen-1-ylacetyl)pyrrolidine-2-carbonyl]amino]hexanoyl]amino]benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide 3 O=C([R1])C1=CC=CC=C1NC([C@@H](NC([C@H]2N(C(CC3=C4C=CC=CC4=CC=C3)=O)CCC2)=O)CCCCN)=O NCCOCCOCCOCC [R1]NCCOCCOCCOCC[R2] O=C([C@H]1N(C([C@@H](N(CC2=C3C=CC=C2)C3=O)C(C)C)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4O[R2] VHL P40337 [R1]C(=O)C1=CC=CC=C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)CC3=CC=CC4=CC=CC=C43 CCOCCOCCOCCN [R1]NCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 66400/53700 60050.0 0 linker/linker_1182.sdf warhead/warhead_3513.sdf e3_ligand/e3_ligand_180.sdf 3465 Q13164 Mitogen-activated protein kinase 7 MAPK7 BMK1 ERK5 O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C(C3=CC=C(NC4=NC=C(C(N(C5CCCC5)C6=CC=CC=C67)=N4)N(C)C7=O)C=C3)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C8=CC=C(C9=C(C)N=CS9)C=C8)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C(=O)C4=CC=C(NC5=NC=C6C(=N5)N(C5CCCC5)C5=CC=CC=C5C(=O)N6C)C=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[(11-cyclopentyl-5-methyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzoyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide INY-05-091 INY-05-091 O=C(N1CCN([R1])CC1)C2=CC=C(NC3=NC=C(C(N(C4CCCC4)C5=CC=CC=C56)=N3)N(C)C6=O)C=C2 CCCCC [R1]CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C6CCCC6 CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 167 167.0 1 linker/linker_2.sdf warhead/warhead_3516.sdf e3_ligand/e3_ligand_23.sdf 3466 Q13164 Mitogen-activated protein kinase 7 MAPK7 BMK1 ERK5 O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C(C3=CC=C(NC4=NC=C(C(N(C(C)CC)C5=CC=CC=C56)=N4)N(C)C6=O)C=C3)=O)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CCC(C)N1C2=CC=CC=C2C(=O)N(C)C2=CN=C(NC3=CC=C(C(=O)N4CCN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)C=C3)N=C21 (2S,4R)-1-[(2S)-2-[6-[4-[4-[(11-butan-2-yl-5-methyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzoyl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide INY-05-128 INY-05-128 O=C(N1CCN([R1])CC1)C2=CC=C(NC3=NC=C(C(N(C(C)CC)C4=CC=CC=C45)=N3)N(C)C5=O)C=C2 CCCCC [R1]CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C(C)CC CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 281 281.0 1 linker/linker_2.sdf warhead/warhead_3517.sdf e3_ligand/e3_ligand_23.sdf 3467 Q13164 Mitogen-activated protein kinase 7 MAPK7 BMK1 ERK5 O=C([C@H]1N(C([C@@H](NC(CCCCCN2CCN(C3=CC4=NC=NC(C5CCN(C(C6=CC=C(OC(F)(F)F)C=C6N)=O)CC5)=C4C=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCN3CCN(C4=CC=C5C(C6CCN(C(=O)C7=CC=C(OC(F)(F)F)C=C7N)CC6)=NC=NC5=C4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[4-[4-[1-[2-amino-4-(trifluoromethoxy)benzoyl]piperidin-4-yl]quinazolin-7-yl]piperazin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide INY-06-061 INY-06-061 O=C(N1CCC(C2=C3C=CC(N4CCN([R1])CC4)=CC3=NC=N2)CC1)C5=CC=C(OC(F)(F)F)C=C5N CCCCC [R1]CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]N1CCN(CC1)C2=CC3=C(C=C2)C(=NC=N3)C4CCN(CC4)C(=O)C5=C(C=C(C=C5)OC(F)(F)F)N CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 21 21.0 1 linker/linker_2.sdf warhead/warhead_3518.sdf e3_ligand/e3_ligand_23.sdf 3468 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC3=CC=C(C4=C(C)N=CS4)C=C3OCCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 5 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCC [R1]CCC[R2] CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O)C(O[R2])=C2 VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC [R1]CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 78/25000 12539.0 0 linker/linker_10.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_1.sdf 3469 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC3=CC=C(C4=C(C)N=CS4)C=C3OCCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C(OCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)=C2)SC=N1 (2S,4R)-N-[[2-[3-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 5 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCC [R1]CCC[R2] CC(N=CS1)=C1C2=CC=C(CNC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O)C(O[R2])=C2 VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC [R1]CCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O >25000/>25000 25000.0 0 linker/linker_10.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_1.sdf 3470 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-4-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 6 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCC [R1]CCC[R2] O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)[R2] VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC [R1]CCC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 1/2 1.5 1 linker/linker_10.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3471 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-4-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 6 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCC [R1]CCC[R2] O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)[R2] VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC [R1]CCC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 6/5 5.5 1 linker/linker_10.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3472 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)COCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](COCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[2-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 8 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCOC [R1]CCOC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCOC [R1]CCOC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 10/23 16.5 1 linker/linker_197.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3473 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)COCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](COCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[2-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 8 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCOC [R1]CCOC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCOC [R1]CCOC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O >25000/>25000 25000.0 0 linker/linker_197.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3474 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CO[C@H](C)CN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[(2R)-1-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 9 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(C)OC C[C@H](C[R1])OC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 COC(C)C [R1]C[C@@H](C)OC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 5/12 8.5 1 linker/linker_3525.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3475 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CO[C@H](C)CN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[(2R)-1-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 9 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(C)OC C[C@H](C[R1])OC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 COC(C)C [R1]C[C@@H](C)OC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 1779/>25000 13389.5 0 linker/linker_3525.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3476 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(N(C)C)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CO[C@H](C)CN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(N(C)C)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[(2R)-1-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[[1-(dimethylamino)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 10 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(C)OC C[C@H](C[R1])OC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)N(C)C)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 COC(C)C [R1]C[C@@H](C)OC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)N(C)C)O 3/6 4.5 1 linker/linker_3525.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3482.sdf 3477 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(N(C)C)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CO[C@H](C)CN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CO[C@H](C)CN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(N(C)C)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1R)-2-[(2R)-1-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[[1-(dimethylamino)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 10 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(C)OC C[C@H](C[R1])OC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)N(C)C)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 COC(C)C [R1]C[C@@H](C)OC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)N(C)C)O 174/83 128.5 1 linker/linker_3525.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3482.sdf 3478 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CCCCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CCCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-6-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 11 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCCCC [R1]CCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCCCC [R1]CCCCC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 1/2 1.5 1 linker/linker_2.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3479 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CCCCCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CCCCCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S)-6-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide compound 11 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CCCCC [R1]CCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCCCC [R1]CCCCC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 12/15 13.5 1 linker/linker_2.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3480 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CC[C@H](C)CCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CC[C@H](C)CCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S,4S)-6-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide ACBI2 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(CC)CC C[C@@H](CC[R2])CC[R1] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC(C)CC [R1]CC[C@@H](C)CC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 1/4 2.5 1 linker/linker_3531.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3481 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C3=CC=C(C4=C(C)N=CS4)C=C3)CC[C@H](C)CCN5CCC(C6=CC=C(N7C8=NC(C9=C7C=CC=C9Br)=O)C(N8C%10CCCC%10)=C6)CC5 CC1=C(C2=CC=C([C@H](CC[C@H](C)CCN3CCC(C4=CC=C5C(=C4)N(C4CCCC4)C4=NC(=O)C6=C(Br)C=CC=C6N54)CC3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3(F)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-N-[(1S,4S)-6-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-4-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]hexyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide ACBI2 BrC1=CC=CC2=C1C(N=C3N(C4=CC(C5CCN([R1])CC5)=CC=C4N23)C6CCCC6)=O CC(CC)CC C[C@@H](CC[R2])CC[R1] CC(N=CS1)=C1C(C=C2)=CC=C2[C@H]([R2])NC([C@@H]3C[C@H](CN3C([C@H](C(C)(C)C)NC(C4(CC4)F)=O)=O)O)=O VHL P40337 [R1]N1CCC(CC1)C2=CC3=C(C=C2)N4C5=C(C(=CC=C5)Br)C(=O)N=C4N3C6CCCC6 CCC(C)CC [R1]CC[C@@H](C)CC[R2] [R2][C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O 32/>25000 12516.0 0 linker/linker_3531.sdf warhead/warhead_3519.sdf e3_ligand/e3_ligand_3476.sdf 3482 P31749 RAC-alpha serine/threonine-protein kinase AKT1 PKB RAC O=C(NCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)CCC4=CC(C5=NC6=C(N=C(C7=C(N)N=CC=C7)N6C8=CC=C(C9(N)CCC9)C=C8)C=C5)=CC=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CCC3=CC=CC(C4=CC=C5N=C(C6=CC=CN=C6N)N(C6=CC=C(C7(N)CCC7)C=C6)C5=N4)=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[3-[3-[3-[4-(1-aminocyclobutyl)phenyl]-2-(2-aminopyridin-3-yl)imidazo[4,5-b]pyridin-5-yl]phenyl]propanoylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 62 MS15 NC(N=CC=C1)=C1C(N2C3=CC=C(C=C3)C4(CCC4)N)=NC(C=C5)=C2N=C5C6=CC=CC([R1])=C6 O=C(CC)NCCCCCCCCCC O=C(CC[R1])NCCCCCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O)=O)NC([R2])=O VHL P40337 [R1]C1=CC(=CC=C1)C2=NC3=C(C=C2)N=C(N3C4=CC=C(C=C4)C5(CCC5)N)C6=C(N=CC=C6)N CCCCCCCCCCNC(=O)CC [R1]CCC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 23 23.0 1 linker/linker_3533.sdf warhead/warhead_3533.sdf e3_ligand/e3_ligand_23.sdf 3483 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14a O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCC)=O O=C(NCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1000/6038.00/>10000 5679.333333333333 0 linker/linker_337.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3484 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14b O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCC)=O O=C(NCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2201.0/>10000/>10000 7400.333333333333 0 linker/linker_225.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3485 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14c O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 407.63/3137.33/5829.00 3124.653333333333 0 linker/linker_167.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3486 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14d O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2150/>10000/>10000 7383.333333333333 0 linker/linker_211.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3487 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14e O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1126.67/>10000/>10000 7042.223333333332 0 linker/linker_3538.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3488 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14f O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 716.10/>10000/>10000 6905.366666666666 0 linker/linker_3539.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3489 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 14g O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCOCCOCCOCCOCCOCCOCCOCCOCC)=O O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCOCCOCCOCCOCCOCCOCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 523.30/8847.33/>10000 6456.876666666666 0 linker/linker_3540.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3490 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 18a O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCC)=O O=C(NCCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCNC(C)=O [R1]CC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 214.53/1548.33/7738.33 3167.063333333333 0 linker/linker_3541.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3491 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 18b O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCCC)=O O=C(NCCCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 226.47/1591.33/5382.33 2400.043333333333 0 linker/linker_65.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3492 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 18c O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 809.40/2127.67/6870.33 3269.133333333333 0 linker/linker_1591.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3493 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetamide 18d O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1105.13/2809.67/6647.67 3520.8233333333337 0 linker/linker_804.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3494 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCC1=CC=C(CNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)C=C1)CCCCNC(CN5CCN(C6=CC=C(NC7=NC=C8C(N(C9=NC(C(C)(O)C)=CC=C9)N(CC=C)C8=O)=N7)C=C6)CC5)=O C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCC5=CC=C(CNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)C=C5)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]phenyl]methyl]-5-[[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]pentanamide 36a O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 O=C(NCC1=CC=C(C)C=C1)CCCCNC(C)=O O=C(NCC1=CC=C(C[R2])C=C1)CCCCNC(C[R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CC(=O)NCCCCC(=O)NCC1=CC=C(C)C=C1 [R1]CC(=O)NCCCCC(=O)NCC1=CC=C(C=C1)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6000/>10000/>10000 8666.666666666666 0 linker/linker_3545.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3495 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4)=O C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-5-[[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]pentanamide 36b O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 O=C(NCC)CCCCNC(C)=O O=C(NCC[R2])CCCCNC(C[R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCNC(=O)CCCCNC(C)=O [R1]CC(=O)NCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2000/>10000/>10000 7333.333333333333 0 linker/linker_3546.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3496 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCNC(CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4)=O C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCCCC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 N-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethyl]-5-[[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]pentanamide 36c O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 O=C(NCCO)CCCCNC(C)=O O=C(NCCO[R2])CCCCNC(C[R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CC(=O)NCCCCC(=O)NCCO [R1]CC(=O)NCCCCC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5000/>10000/>10000 8333.333333333334 0 linker/linker_3547.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_16.sdf 3497 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C(NCCOCCOCCNC(CNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O)CN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4 C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CC(=O)NCCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[2-[2-[2-[[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide 36d O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 O=C(C)NCCOCCOCCNC(C)=O O=C(C[R2])NCCOCCOCCNC(C[R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CC(=O)NCCOCCOCCNC(C)=O [R1]CC(=O)NCCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7000/>10000/>10000 9000.0 0 linker/linker_2007.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3498 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4)=O C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 2-(2,6-dioxopiperidin-3-yl)-4-[4-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]butylamino]isoindole-1,3-dione 42a O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CCCC [R1]CCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCC [R1]CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46.00/217.67/107.48 123.71666666666664 1 linker/linker_7.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3499 P30291 Wee1-like protein kinase Wee1 WEE1hu O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCN4CCN(C5=CC=C(NC6=NC=C7C(N(C8=NC(C(C)(O)C)=CC=C8)N(CC=C)C7=O)=N6)C=C5)CC4)=O C=CCN1C(=O)C2=CN=C(NC3=CC=C(N4CCN(CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)N=C2N1C1=CC=CC(C(C)(C)O)=N1 2-(2,6-dioxopiperidin-3-yl)-4-[5-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]pentylamino]isoindole-1,3-dione 42b O=C1N(CC=C)N(C2=NC(C(C)(O)C)=CC=C2)C3=NC(NC4=CC=C(N5CCN([R1])CC5)C=C4)=NC=C31 CCCCC [R1]CCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)N(N(C4=O)CC=C)C5=CC=CC(=N5)C(C)(C)O CCCCC [R1]CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 181.67/1256.67/1309.33 915.89 1 linker/linker_2.sdf warhead/warhead_805.sdf e3_ligand/e3_ligand_7.sdf 3500 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCOCCOCCOCCN4C=C(N=N4)CCC(N(C)CCOC5=CC=C(C=C5)/C(C6=CC=C(C=C6)O)=C(CC)/C7=CC=CC=C7)=O)C2=O)=O CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)N=N2)C=C1)C1=CC=CC=C1 3-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]-N-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]-N-methylpropanamide TPO-3 OC(C=C1)=CC=C1/C(C(C=C2)=CC=C2OCCN(C([R1])=O)C)=C(CC)\C3=CC=CC=C3 CCOCCOCCOCCN1C=C(N=N1)CC [R1]CCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]C(=O)N(C)CCOC1=CC=C(C=C1)/C(=C(\CC)/C2=CC=CC=C2)/C3=CC=C(C=C3)O CCOCCOCCOCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11.94 11.94 1 linker/linker_1705.sdf warhead/warhead_3551.sdf e3_ligand/e3_ligand_7.sdf 3501 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C([C@H]1N(C([C@@H](NC(CCCN2N=NC(CCC(N(CCOC3=CC=C(/C(C4=CC=C(O)C=C4)=C(C5=CC=CC=C5)\CC)C=C3)C)=O)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[4-[4-[3-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-3-oxopropyl]triazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide TVHL-1 OC(C=C1)=CC=C1/C(C(C=C2)=CC=C2OCCN(C([R1])=O)C)=C(CC)\C3=CC=CC=C3 CCCN1N=NC(CC)=C1 [R1]CCC1=CN(CCC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C(=O)N(C)CCOC1=CC=C(C=C1)/C(=C(\CC)/C2=CC=CC=C2)/C3=CC=C(C=C3)O CCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4.5 4.5 1 linker/linker_3552.sdf warhead/warhead_3551.sdf e3_ligand/e3_ligand_23.sdf 3502 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C([C@H]1N(C([C@@H](NC(CCCCCN2N=NC(CCC(N(CCOC3=CC=C(/C(C4=CC=C(O)C=C4)=C(C5=CC=CC=C5)\CC)C=C3)C)=O)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC/C(=C(/C1=CC=C(O)C=C1)C1=CC=C(OCCN(C)C(=O)CCC2=CN(CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)N=N2)C=C1)C1=CC=CC=C1 (2S,4R)-4-hydroxy-1-[(2S)-2-[6-[4-[3-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]-3-oxopropyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide TVHL-2 OC(C=C1)=CC=C1/C(C(C=C2)=CC=C2OCCN(C([R1])=O)C)=C(CC)\C3=CC=CC=C3 CCCCCN1N=NC(CC)=C1 [R1]CCC1=CN(CCCCC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]C(=O)N(C)CCOC1=CC=C(C=C1)/C(=C(\CC)/C2=CC=CC=C2)/C3=CC=C(C=C3)O CCCCCN1C=C(CC)N=N1 [R1]CCC1=CN(N=N1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5.29 5.29 1 linker/linker_3238.sdf warhead/warhead_3551.sdf e3_ligand/e3_ligand_23.sdf 3503 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCC(F)(F)C2=CN=C(C3=CC=C(C(C4=CC=CC=C4F)C(NO)=O)C=C3)N=C2)=O)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2,2-difluoro-2-[2-[4-[1-(2-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]phenyl]pyrimidin-5-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 5 O=C(NO)C(C1=CC=C(C2=NC=C(C(F)([R1])F)C=N2)C=C1)C3=CC=CC=C3F COCCOCCOC [R1]COCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(C1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3F)C(=O)NO)(F)F COCCOCCOC [R1]COCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 28 150 28.0 150.0 1 linker/linker_3554.sdf warhead/warhead_3554.sdf e3_ligand/e3_ligand_27.sdf 3504 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCC(F)(F)C2=CN=C(C3=CC=C(C(C4=CC=CC=C4F)C(NO)=O)C=C3)N=C2)=O)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2,2-difluoro-2-[2-[4-[1-(2-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]phenyl]pyrimidin-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 6 O=C(NO)C(C1=CC=C(C2=NC=C(C(F)([R1])F)C=N2)C=C1)C3=CC=CC=C3F COCCOCCOCCOC [R1]COCCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(C1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3F)C(=O)NO)(F)F COCCOCCOCCOC [R1]COCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 48 160 48.0 160.0 1 linker/linker_3555.sdf warhead/warhead_3554.sdf e3_ligand/e3_ligand_27.sdf 3505 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCOCC(F)(F)C2=CN=C(C3=CC=C(C(C4=CC=CC=C4F)C(NO)=O)C=C3)N=C2)=O)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(F)(F)C3=CN=C(C4=CC=C(C(C(=O)NO)C5=CC=CC=C5F)C=C4)N=C3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[2-[2,2-difluoro-2-[2-[4-[1-(2-fluorophenyl)-2-(hydroxyamino)-2-oxoethyl]phenyl]pyrimidin-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 7 O=C(NO)C(C1=CC=C(C2=NC=C(C(F)([R1])F)C=N2)C=C1)C3=CC=CC=C3F COCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(C1=CN=C(N=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3F)C(=O)NO)(F)F COCCOCCOCCOCCOC [R1]COCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 37 120 37.0 120.0 1 linker/linker_3556.sdf warhead/warhead_3554.sdf e3_ligand/e3_ligand_27.sdf 3506 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCCCN(CCC)C[C@@H](C)NC(C2=CC=C(C3=NOC(C(F)(F)F)=N3)C=C2)=O)=O)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4 CCCN(CCCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[4-[propyl-[(2R)-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propyl]amino]butoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 9 FC(C1=NC(C2=CC=C(C(N[C@H](C)CN(CCC)CC[R1])=O)C=C2)=NO1)(F)F CCOCCOCCOC [R1]CCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]CCN(CCC)C[C@@H](C)NC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3 33 3.0 33.0 1 linker/linker_168.sdf warhead/warhead_3557.sdf e3_ligand/e3_ligand_27.sdf 3507 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCCCN(CCC)C[C@@H](C)NC(C2=CC=C(C3=NOC(C(F)(F)F)=N3)C=C2)=O)=O)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4 CCCN(CCCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[4-[propyl-[(2R)-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propyl]amino]butoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 10 FC(C1=NC(C2=CC=C(C(N[C@H](C)CN(CCC)CC[R1])=O)C=C2)=NO1)(F)F CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]CCN(CCC)C[C@@H](C)NC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F CCOCCOCCOCCOC [R1]CCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4 2 4.0 2.0 1 linker/linker_205.sdf warhead/warhead_3557.sdf e3_ligand/e3_ligand_27.sdf 3508 P56524 Histone deacetylase 4 HDAC4 KIAA0288 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCOCCOCCCCN(CCC)C[C@@H](C)NC(C2=CC=C(C3=NOC(C(F)(F)F)=N3)C=C2)=O)=O)=O)C[C@H](O)C1)NCC4=CC=C(C5=C(C)N=CS5)C=C4 CCCN(CCCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C)C[C@@H](C)NC(=O)C1=CC=C(C2=NOC(C(F)(F)F)=N2)C=C1 (2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[2-[4-[propyl-[(2R)-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]propyl]amino]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 FC(C1=NC(C2=CC=C(C(N[C@H](C)CN(CCC)CC[R1])=O)C=C2)=NO1)(F)F CCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOC[R2] O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]CCN(CCC)C[C@@H](C)NC(=O)C1=CC=C(C=C1)C2=NOC(=N2)C(F)(F)F CCOCCOCCOCCOCCOC [R1]CCOCCOCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4 6 4.0 6.0 1 linker/linker_207.sdf warhead/warhead_3557.sdf e3_ligand/e3_ligand_27.sdf 3509 P11362 Fibroblast growth factor receptor 1 FGFR1 BFGFR FLT-2 C[C@H](N(CC(NCCC1=CC=C(OCC(N[C@@H](C(C)(C)C)C(N2C[C@H](O)C[C@H]2C(N[C@H](C3=CC=C(C4=C(N=CS4)C)C=C3)C)=O)=O)=O)C=C1)=O)[C@@H](C5)C)CN5C6=CC=C(C=C6)C(NC7=NNC(CCC8=CC(OC)=CC(OC)=C8)=C7)=O COC1=CC(CCC2=CC(NC(=O)C3=CC=C(N4C[C@H](C)N(CC(=O)NCCC5=CC=C(OCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)C=C5)[C@H](C)C4)C=C3)=N[NH]2)=CC(OC)=C1 (2S,4R)-1-[(2S)-2-[[2-[4-[2-[[2-[(2R,6S)-4-[4-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]phenyl]-2,6-dimethylpiperazin-1-yl]acetyl]amino]ethyl]phenoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide LG1188 C[C@@H]1CN(C2=CC=C(C(NC3=NNC(CCC4=CC(OC)=CC(OC)=C4)=C3)=O)C=C2)C[C@H](C)N1[R1] CC(NCCC1=CC=C(OC)C=C1)=O O=C(NCCC1=CC=C(OC[R2])C=C1)C[R1] O=C(N[C@H](C(N1[C@H](C(N[C@@H](C)C2=CC=C(C=C2)C3=C(C)N=CS3)=O)C[C@H](C1)O)=O)C(C)(C)C)[R2] VHL P40337 [R1]N1[C@@H](CN(C[C@@H]1C)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)CCC4=CC(=CC(=C4)OC)OC)C COC1=CC=C(CCNC(C)=O)C=C1 [R1]CC(=O)NCCC1=CC=C(C=C1)OC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 139/160 149.5 1 linker/linker_3560.sdf warhead/warhead_3560.sdf e3_ligand/e3_ligand_23.sdf 3510 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C(O)C[C@@H](C1=CC=C(C)C(CN2S(C3=CC=C(CCCCCCNC(COC4=CC5=CC=CC(C(N(C(CC6)C(NC6=O)=O)C7=O)=O)=C5C7=C4)=O)C=C3O[C@H](C)C2)(=O)=O)=C1)C8=CC(OC)=C(N(C)N=N9)C9=C8 COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCNC(=O)COC5=CC6=C7C(=CC=CC7=C5)C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2 (3S)-3-[3-[[(4R)-7-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetyl]amino]hexyl]-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(7-methoxy-1-methylbenzotriazol-5-yl)propanoic acid NJH-04-087 NJH-04-087 C[C@H](CN1CC2=CC([C@H](CC(O)=O)C(C=C3N=N4)=CC(OC)=C3N4C)=CC=C2C)OC5=CC([R1])=CC=C5S1(=O)=O OCC(NCCCCCC)=O O=C(CO[R2])NCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC4=CC=CC(C2=O)=C43)=O CRBN Q96SW2 [R1]C1=CC2=C(C=C1)S(=O)(=O)N(C[C@H](O2)C)CC3=C(C=CC(=C3)[C@H](CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=CC2=C3C(=CC=C2)C(=O)N(C(=O)C3=C1)C4CCC(=O)NC4=O 8/62/5 25.0 0 linker/linker_577.sdf warhead/warhead_3567.sdf e3_ligand/e3_ligand_3522.sdf 3511 Q14145 Kelch-like ECH-associated protein 1 KEAP1 INrf2 O=C(O)C[C@@H](C1=CC=C(C)C(CN2S(C3=CC=C(CCCCCCNC(COC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=O)C=C3O[C@H](C)C2)(=O)=O)=C1)C7=CC(OC)=C(N(C)N=N8)C8=C7 COC1=CC([C@@H](CC(=O)O)C2=CC=C(C)C(CN3C[C@@H](C)OC4=CC(CCCCCCNC(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)=CC=C4S3(=O)=O)=C2)=CC2=C1N(C)N=N2 (3S)-3-[3-[[(4R)-7-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methyl-1,1-dioxo-3,4-dihydro-5,1$l^6,2-benzoxathiazepin-2-yl]methyl]-4-methylphenyl]-3-(7-methoxy-1-methylbenzotriazol-5-yl)propanoic acid NJH-04-086 NJH-04-086 C[C@H](CN1CC2=CC([C@H](CC(O)=O)C(C=C3N=N4)=CC(OC)=C3N4C)=CC=C2C)OC5=CC([R1])=CC=C5S1(=O)=O CCCCCCNC(CO)=O O=C(NCCCCCC[R1])CO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC2=C(C=C1)S(=O)(=O)N(C[C@H](O2)C)CC3=C(C=CC(=C3)[C@H](CC(=O)O)C4=CC5=C(C(=C4)OC)N(N=N5)C)C CCCCCCNC(=O)CO [R1]CCCCCCNC(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 56/76/0 44.0 0 linker/linker_577.sdf warhead/warhead_3567.sdf e3_ligand/e3_ligand_16.sdf 3512 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1 [2-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylcarbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11a SDL-1 O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O O=CNCC O=C([R1])NCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C CCNC=O [R1]C(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 31520/26490/11780 23263.33333333333 0 linker/linker_1309.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_7.sdf 3513 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1 [2-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11b O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O CCOCCNC=O O=C([R1])NCCOCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C CCOCCNC=O [R1]C(=O)NCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 48050/21690/37460 35733.333333333336 0 linker/linker_3570.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_7.sdf 3514 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1 [2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11c O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O CCOCCOCCNC=O O=C([R1])NCCOCCOCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C CCOCCOCCNC=O [R1]C(=O)NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51680/15930/14050 27220.0 0 linker/linker_556.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_7.sdf 3515 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCOCCOCCOCCNC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCOCCOCCOCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C=C1 [2-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11d O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O CCOCCOCCOCCNC=O O=C([R1])NCCOCCOCCOCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C CCOCCOCCOCCNC=O [R1]C(=O)NCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 136700/22790/41010 66833.33333333333 0 linker/linker_1773.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_7.sdf 3516 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 [2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carbonyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11e O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O O=CN1CCNCC1 O=C([R1])N1CCN([R2])CC1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C O=CN1CCNCC1 [R1]C(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 44910/19920/16700 27176.666666666668 0 linker/linker_3573.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_16.sdf 3517 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCCC(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 [2-[4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-4-oxobutyl]carbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11f O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O O=C(N1CCNCC1)CCCNC=O O=C(N1CCN([R2])CC1)CCCNC([R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C O=CNCCCC(=O)N1CCNCC1 [R1]C(=O)NCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 120800/>100000/20190 80330.0 0 linker/linker_3574.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_16.sdf 3518 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCCCCC(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 [2-[4-[[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-6-oxohexyl]carbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11g O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O O=C(N1CCNCC1)CCCCCNC=O O=C(N1CCN([R2])CC1)CCCCCNC([R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C O=CNCCCCCC(=O)N1CCNCC1 [R1]C(=O)NCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 102400/>100000/19180 73860.0 0 linker/linker_3575.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_16.sdf 3519 P40763 Signal transducer and activator of transcription 3 STAT3 APRF O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C(C(NCCCCCCCC(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)=O)=O)C=C2)=O)=O CC1=CC=C(S(=O)(=O)OCC(=O)NC2=CC=C(C(=O)NCCCCCCCC(=O)N3CCN(C4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2)C=C1 [2-[4-[[8-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-8-oxooctyl]carbamoyl]anilino]-2-oxoethyl] 4-methylbenzenesulfonate 11h O=S(C1=CC=C(C)C=C1)(OCC(NC2=CC=C([R1])C=C2)=O)=O O=C(N1CCNCC1)CCCCCCCNC=O O=C(N1CCN([R2])CC1)CCCCCCCNC([R1])=O O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)COS(=O)(=O)C2=CC=C(C=C2)C O=CNCCCCCCCC(=O)N1CCNCC1 [R1]C(=O)NCCCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36100/19950/82550 46200.0 0 linker/linker_3576.sdf warhead/warhead_3569.sdf e3_ligand/e3_ligand_16.sdf 3520 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 O=C(C(N(CC1=C2C=CC(C3CCN(CC4=CC=C(OCCN5CCN(C6=CC=C(NC7=NC=C(C(C)=C(C(C)=O)C(N8C9CCCC9)=O)C8=N7)N=C6)CC5)C=C4)CC3)=C1)C2=O)CC%10)NC%10=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[6-[1-[[4-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione ALV-07-082-03 CC(C(C(N(C1=N2)C3CCCC3)=O)=C(C1=CN=C2NC(N=C4)=CC=C4N5CCN([R1])CC5)C)=O CCOC1=CC=C(CN2CCCCC2)C=C1 [R1]CCOC1=CC=C(CN2CCC([R2])CC2)C=C1 O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOC1=CC=C(CN2CCCCC2)C=C1 [R1]CCOC1=CC=C(C=C1)CN2CCC(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 10 10.0 1 linker/linker_3577.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_21.sdf 3521 Q00534 Cyclin-dependent kinase 6 CDK6 CDKN6 O=C(C(N(CC1=C2C=CC(C3CCN(CC4=CC=C(OCCN5CCN(C6=CC=C(NC7=NC=C(C(C)=C(C(C)=O)C(N8C9CCCC9)=O)C8=N7)N=C6)CC5)C=C4)CC3)=C1)C2=O)CC%10)NC%10=O CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(N4CCN(CCOC5=CC=C(CN6CCC(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)CC8=C7)CC6)C=C5)CC4)C=N3)N=C2N(C2CCCC2)C1=O 3-[6-[1-[[4-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]ethoxy]phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione ALV-07-082-03 CC(C(C(N(C1=N2)C3CCCC3)=O)=C(C1=CN=C2NC(N=C4)=CC=C4N5CCN([R1])CC5)C)=O CCOC1=CC=C(CN2CCCCC2)C=C1 [R1]CCOC1=CC=C(CN2CCC([R2])CC2)C=C1 O=C1C2=C(CN1C(C3=O)CCC(N3)=O)C=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C(=C(C(=O)N(C4=N3)C5CCCC5)C(=O)C)C CCOC1=CC=C(CN2CCCCC2)C=C1 [R1]CCOC1=CC=C(C=C1)CN2CCC(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_3577.sdf warhead/warhead_225.sdf e3_ligand/e3_ligand_21.sdf 3522 Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 LRRK2 PARK8 O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(SC[C@H]3CC[C@H](CN4CCN(C(C5=CC=C(NC6=NC=C(Cl)C(NC)=N6)C(OC)=C5)=O)CC4)CC3)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl (2S,4R)-1-[(2R)-3-[[4-[[4-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxybenzoyl]piperazin-1-yl]methyl]cyclohexyl]methylsulfanyl]-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide XL01126 COC1=C(NC2=NC(NC)=C(Cl)C=N2)C=CC(C(N3CCN([R1])CC3)=O)=C1 C[C@@H](CC1)CC[C@H]1C [R1]C[C@@H](CC1)CC[C@H]1C[R2] CC(S[R2])(C)[C@@H](C(N1[C@H](C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)C[C@@H](O)C1)=O)NC(C4(F)CC4)=O VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC)Cl)OC C[C@H]1CC[C@H](C)CC1 [R1]C[C@H]1CC[C@@H](CC1)C[R2] [R2]SC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)NC(=O)C4(CC4)F 32 32.0 1 linker/linker_3579.sdf warhead/warhead_3579.sdf e3_ligand/e3_ligand_3534.sdf 3523 Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 G2019S LRRK2 G2019S O=C([C@H]1N(C([C@@H](NC(C2(F)CC2)=O)C(C)(SC[C@H]3CC[C@H](CN4CCN(C(C5=CC=C(NC6=NC=C(Cl)C(NC)=N6)C(OC)=C5)=O)CC4)CC3)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl (2S,4R)-1-[(2R)-3-[[4-[[4-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxybenzoyl]piperazin-1-yl]methyl]cyclohexyl]methylsulfanyl]-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide XL01126 COC1=C(NC2=NC(NC)=C(Cl)C=N2)C=CC(C(N3CCN([R1])CC3)=O)=C1 C[C@@H](CC1)CC[C@H]1C [R1]C[C@@H](CC1)CC[C@H]1C[R2] CC(S[R2])(C)[C@@H](C(N1[C@H](C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)C[C@@H](O)C1)=O)NC(C4(F)CC4)=O VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC)Cl)OC C[C@H]1CC[C@H](C)CC1 [R1]C[C@H]1CC[C@@H](CC1)C[R2] [R2]SC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)NC(=O)C4(CC4)F 14 14.0 1 linker/linker_3579.sdf warhead/warhead_3579.sdf e3_ligand/e3_ligand_3534.sdf 3524 Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 LRRK2 PARK8 N([C@H](C(=O)N1C[C@@H](C[C@@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)O)[C@@](C)(C)SC[C@@H]1CC[C@H](CN2CCN(C(C3C=CC(=C(C=3)OC)NC3=NC(=C(C=N3)Cl)NC)=O)CC2)CC1)C(C1(CC1)F)=O CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl (2R,4R)-1-[(2R)-3-[[4-[[4-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxybenzoyl]piperazin-1-yl]methyl]cyclohexyl]methylsulfanyl]-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide XL01134 COC1=C(NC2=NC(NC)=C(Cl)C=N2)C=CC(C(N3CCN([R1])CC3)=O)=C1 C[C@@H]1CC[C@H](C)CC1 [R1]C[C@@H]1CC[C@H](C[R2])CC1 CC(S[R2])(C)[C@@H](C(N1[C@H](C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)C[C@@H](O)C1)=O)NC(C4(F)CC4)=O VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC)Cl)OC C[C@H]1CC[C@@H](C)CC1 [R1]C[C@H]1CC[C@H](CC1)C[R2] [R2]SC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)NC(=O)C4(CC4)F 32 74 32.0 74.0 1 linker/linker_3581.sdf warhead/warhead_3579.sdf e3_ligand/e3_ligand_3534.sdf 3525 Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 G2019S LRRK2 G2019S N([C@H](C(=O)N1C[C@@H](C[C@@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)O)[C@@](C)(C)SC[C@@H]1CC[C@H](CN2CCN(C(C3C=CC(=C(C=3)OC)NC3=NC(=C(C=N3)Cl)NC)=O)CC2)CC1)C(C1(CC1)F)=O CNC1=NC(NC2=CC=C(C(=O)N3CCN(C[C@H]4CC[C@@H](CSC(C)(C)[C@H](NC(=O)C5(F)CC5)C(=O)N5C[C@H](O)C[C@@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)CC4)CC3)C=C2OC)=NC=C1Cl (2R,4R)-1-[(2R)-3-[[4-[[4-[4-[[5-chloro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxybenzoyl]piperazin-1-yl]methyl]cyclohexyl]methylsulfanyl]-2-[(1-fluorocyclopropanecarbonyl)amino]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide XL01134 COC1=C(NC2=NC(NC)=C(Cl)C=N2)C=CC(C(N3CCN([R1])CC3)=O)=C1 C[C@@H]1CC[C@H](C)CC1 [R1]C[C@@H]1CC[C@H](C[R2])CC1 CC(S[R2])(C)[C@@H](C(N1[C@H](C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)C[C@@H](O)C1)=O)NC(C4(F)CC4)=O VHL P40337 [R1]N1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC)Cl)OC C[C@H]1CC[C@@H](C)CC1 [R1]C[C@H]1CC[C@H](CC1)C[R2] [R2]SC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)NC(=O)C4(CC4)F 7 12 7.0 12.0 1 linker/linker_3581.sdf warhead/warhead_3579.sdf e3_ligand/e3_ligand_3534.sdf 3526 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 2-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 5a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CC=O O=C([R2])C[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CC=O [R1]CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 41 41.0 0 linker/linker_521.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3527 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 2-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 5a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CC=O O=C([R2])C[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CC=O [R1]CC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24 24.0 0 linker/linker_521.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3528 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 3-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide 5b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC=O O=C([R2])CC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC=O [R1]CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16 16.0 0 linker/linker_522.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3529 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 3-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide 5b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC=O O=C([R2])CC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC=O [R1]CCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_522.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3530 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 4-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide 5c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCC=O O=C([R2])CCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCC=O [R1]CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10 10.0 0 linker/linker_232.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3531 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 4-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]butanamide 5c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCC=O O=C([R2])CCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCC=O [R1]CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_232.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3532 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 5-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide 5d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCC=O O=C([R2])CCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 74 74.0 1 linker/linker_443.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3533 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 5-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pentanamide 5d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCC=O O=C([R2])CCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35 35.0 0 linker/linker_443.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3534 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 6-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide 5e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCC=O O=C([R2])CCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 69 69.0 0 linker/linker_255.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3535 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 6-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]hexanamide 5e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCC=O O=C([R2])CCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 56 56.0 0 linker/linker_255.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3536 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 7-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide 5f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCC=O O=C([R2])CCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 75 75.0 1 linker/linker_256.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3537 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 7-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]heptanamide 5f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCC=O O=C([R2])CCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 56 56.0 0 linker/linker_256.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3538 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 8-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 5g N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 54 54.0 0 linker/linker_257.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3539 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 8-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]octanamide 5g N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 20 20.0 0 linker/linker_257.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3540 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 9-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonanamide 5h N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCC=O O=C([R2])CCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCC=O [R1]CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 56 56.0 0 linker/linker_419.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3541 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCC(NC4=CC=CC(C(N5C6C(NC(CC6)=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 9-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]nonanamide 5h N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCC=O O=C([R2])CCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCC=O [R1]CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 54 54.0 0 linker/linker_419.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3542 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 10-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide 5i N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_258.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3543 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCCC(NC4=CC=CC(C(N5C6CCC(NC6=O)=O)=O)=C4C5=O)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3)CC2)N=C1 10-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]decanamide 5i N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C(C(CC1)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_258.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_7.sdf 3544 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperazin-1-yl]phenyl]urea 6b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 O=C O=C([R2])[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C=O [R1]C(=O)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 80 80.0 1 linker/linker_2661.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3545 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(C4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperazin-1-yl]phenyl]urea 6b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 O=C O=C([R2])[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C=O [R1]C(=O)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 53 53.0 0 linker/linker_2661.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3546 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide 6c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NC=O O=C([R1])N[R2] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NC=O [R1]C(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_3268.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3547 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide 6c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NC=O O=C([R1])N[R2] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NC=O [R1]C(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 74 74.0 1 linker/linker_3268.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3548 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 2-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 6d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CC(N)=O O=C(N[R2])C[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CC(N)=O [R1]CC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 97 97.0 1 linker/linker_1261.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3549 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 2-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide 6d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CC(N)=O O=C(N[R2])C[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CC(N)=O [R1]CC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 64 64.0 0 linker/linker_1261.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3550 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCC(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propanamide 6e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC(N)=O O=C(N[R2])CC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC(N)=O [R1]CCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 99 99.0 1 linker/linker_2400.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3551 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCC(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propanamide 6e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC(N)=O O=C(N[R2])CC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC(N)=O [R1]CCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 72 72.0 1 linker/linker_2400.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3552 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCC(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 5-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentanamide 6f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 94 94.0 1 linker/linker_1831.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3553 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCC(NC4=CC=C(C(N(C5CCC(NC5=O)=O)C6=O)=O)C6=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 5-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pentanamide 6f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 45 45.0 0 linker/linker_1831.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3554 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 6-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hexanamide 6g N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCC(N)=O O=C(N[R2])CCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 78 78.0 1 linker/linker_1263.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3555 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 6-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]hexanamide 6g N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCC(N)=O O=C(N[R2])CCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCC(N)=O [R1]CCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48 48.0 0 linker/linker_1263.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3556 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 8-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]octanamide 6h N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCC(N)=O O=C(N[R2])CCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCC(N)=O [R1]CCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_1837.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3557 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 8-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]octanamide 6h N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCC(N)=O O=C(N[R2])CCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCC(N)=O [R1]CCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 43 43.0 0 linker/linker_1837.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3558 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 10-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]decanamide 6i N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCCC(N)=O [R1]CCCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 59 59.0 0 linker/linker_1838.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3559 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(CCCCCCCCCC(NC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(CCCCCCCCCC(=O)NC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 10-[4-[4-[benzylcarbamoyl-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]amino]phenyl]piperazin-1-yl]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]decanamide 6i N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCCCCCCCCC(N)=O O=C(N[R2])CCCCCCCCC[R1] O=C(C(CC1)N2C(C3=CC=C([R2])C=C3C2=O)=O)NC1=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCCCCCCCCC(N)=O [R1]CCCCCCCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48 48.0 0 linker/linker_1838.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3560 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(C#CC4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C#CC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-ynoyl]piperazin-1-yl]phenyl]urea 7a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 C#CC=O O=C([R1])C#C[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C#CC=O [R1]C(=O)C#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 44 44.0 0 linker/linker_3617.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3561 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(C#CC4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=NC=C(C#N)C=C8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C#CC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-ynoyl]piperazin-1-yl]phenyl]urea 7a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 C#CC=O O=C([R1])C#C[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C#CC=O [R1]C(=O)C#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 0 linker/linker_3617.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3562 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(/C=C/C4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)/C=C/C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[(E)-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enoyl]piperazin-1-yl]phenyl]urea 7b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 C=CC=O O=C([R1])C=C[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C=CC=O [R1]C(=O)C=C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 86 86.0 1 linker/linker_3619.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3563 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(/C=C/C4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)/C=C/C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[(E)-3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enoyl]piperazin-1-yl]phenyl]urea 7b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 C=CC=O O=C([R1])C=C[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N C=CC=O [R1]C(=O)C=C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 67 67.0 0 linker/linker_3619.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3564 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N([C@H]2CC[C@H](NC3=CC=C(C#N)C=N3)CC2)C4=CC=C(N5CCN(C(C6C(C7=CC=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=C7)C6)=O)CC5)C=C4 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5CC5C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]urea 7c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 O=CC1CC1 O=C([R1])C1C([R2])C1 [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N O=CC1CC1 [R1]C(=O)C1CC1[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20 20.0 0 linker/linker_3621.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3565 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N([C@H]2CC[C@H](NC3=CC=C(C#N)C=N3)CC2)C4=CC=C(N5CCN(C(C6C(C7=CC=C(C(N(C8CCC(NC8=O)=O)C9=O)=O)C9=C7)C6)=O)CC5)C=C4 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)C5CC5C5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]cyclopropanecarbonyl]piperazin-1-yl]phenyl]urea 7c N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 O=CC1CC1 O=C([R1])C1C([R2])C1 [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N O=CC1CC1 [R1]C(=O)C1CC1[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24 24.0 0 linker/linker_3621.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3566 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CCC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CCC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propanoyl]piperazin-1-yl]phenyl]urea 7d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC=O O=C([R1])CC[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC=O [R1]C(=O)CC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 28 28.0 0 linker/linker_522.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3567 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CCC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CCC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propanoyl]piperazin-1-yl]phenyl]urea 7d N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 CCC=O O=C([R1])CC[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N CCC=O [R1]C(=O)CC[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 23 23.0 0 linker/linker_522.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3568 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(COC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]piperazin-1-yl]phenyl]urea 7e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 OCC=O O=C([R1])CO[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N O=CCO [R1]C(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 87 87.0 1 linker/linker_1673.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3569 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(COC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]piperazin-1-yl]phenyl]urea 7e N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 OCC=O O=C([R1])CO[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N O=CCO [R1]C(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 72 72.0 1 linker/linker_1673.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3570 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 7f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 88 88.0 1 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3571 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(C(N(C5CCC(NC5=O)=O)C6=O)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 7f N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC=C2C(C(N(C2=O)C3CCC(NC3=O)=O)=O)=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 74 74.0 1 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_616.sdf 3572 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(C(N(C5CCC(NC5=O)=O)C6)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 8a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC2=C(C=C1)CN(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 78 78.0 1 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_22.sdf 3573 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(C(N(C5CCC(NC5=O)=O)C6)=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6CN(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 8a N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC2=C(C=C1)CN(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(CN(C2=O)C3CCC(=O)NC3=O)C=C1 70 70.0 1 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_22.sdf 3574 Q9NYV4 Cyclin-dependent kinase 12 CDK12 CRK7 CRKRS O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(CN(C5CCC(NC5=O)=O)C6=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 8b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC(CN2C3CCC(NC3=O)=O)=C(C=C1)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 65 65.0 0 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_21.sdf 3575 Q14004 Cyclin-dependent kinase 13 CDK13 CDC2L CDC2L5 O=C(NCC1=CC=CC=C1)N(C2=CC=C(N3CCN(C(CNC4=CC(CN(C5CCC(NC5=O)=O)C6=O)=C6C=C4)=O)CC3)C=C2)[C@H]7CC[C@H](NC8=CC=C(C#N)C=N8)CC7 N#CC1=CC=C(N[C@H]2CC[C@H](N(C(=O)NCC3=CC=CC=C3)C3=CC=C(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)CC6=C5)CC4)C=C3)CC2)N=C1 3-benzyl-1-[4-[(5-cyanopyridin-2-yl)amino]cyclohexyl]-1-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]acetyl]piperazin-1-yl]phenyl]urea 8b N#CC1=CN=C(N[C@@H]2CC[C@@H](N(C(NCC3=CC=CC=C3)=O)C4=CC=C(N5CCN([R1])CC5)C=C4)CC2)C=C1 NCC=O O=C([R1])CN[R2] [R2]C1=CC(CN2C3CCC(NC3=O)=O)=C(C=C1)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)N(C(=O)NCC3=CC=CC=C3)[C@H]4CC[C@@H](CC4)NC5=NC=C(C=C5)C#N NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 65 65.0 0 linker/linker_222.sdf warhead/warhead_3583.sdf e3_ligand/e3_ligand_21.sdf 3576 O96028 Nuclear receptor-binding SET domain 2 NSD2 MMSET TRX5 O=C1COC2=CC(C(N(CC3=CC=C(C(NC(C=C4)=NC=C4OCCCNC(CNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)=O)=O)C=C3)C8CC8)=O)=CC=C2N1 O=C(CNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCOC1=CC=C(NC(=O)C2=CC=C(CN(C(=O)C3=CC=C4NC(=O)COC4=C3)C3CC3)C=C2)N=C1 N-cyclopropyl-N-[[4-[[5-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propoxy]pyridin-2-yl]carbamoyl]phenyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide 9 MS159 O=C1COC2=CC(C(N(C3CC3)CC4=CC=C(C=C4)C(NC5=NC=C([R1])C=C5)=O)=O)=CC=C2N1 OCCCNC(C)=O O=C(C[R2])NCCCO[R1] O=C(CC1)NC(C1N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O)=O CRBN Q96SW2 [R1]C1=CN=C(C=C1)NC(=O)C2=CC=C(C=C2)CN(C3CC3)C(=O)C4=CC5=C(C=C4)NC(=O)CO5 CC(=O)NCCCO [R1]OCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5200 5200.0 0 linker/linker_3633.sdf warhead/warhead_3633.sdf e3_ligand/e3_ligand_7.sdf 3577 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 CC(N(O[C@H]1C[C@]2(C)[C@@H](O)CCC2C3CCC4=CC(O)=CC=C4C13)CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CC(=O)N(CCOCCOCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O)O[C@H]1C[C@@]2(C)C(CC[C@@H]2O)C2CCC3=CC(O)=CC=C3C21 N-[[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]oxy]-N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]acetamide 15b C[C@@]12[C@@H](O)CCC1C3CCC4=CC(O)=CC=C4C3[C@@H](O[R1])C2 CC(NCCOCCOCC)=O CC(N([R1])CCOCCOCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]O[C@H]1C[C@@]2([C@H](CCC2C3C1C4=C(CC3)C=C(C=C4)O)O)C CCOCCOCCNC(C)=O [R1]N(CCOCCOCC[R2])C(=O)C [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 67 68 67.0 68.0 1 linker/linker_337.sdf warhead/warhead_3634.sdf e3_ligand/e3_ligand_7.sdf 3578 P03372 Estrogen receptor alpha ERalpha ESR1 NR3A1 O=C(NCCCOCCOCCOCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CO[C@H]4C[C@]5(C)[C@@H](O)CCC5C6CCC7=CC(O)=CC=C7C46 C[C@]12C[C@H](OCC(=O)NCCCOCCOCCOCCCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C3C4=CC=C(O)C=C4CCC3C1CC[C@@H]2O 2-[[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]oxy]-N-[3-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propoxy]ethoxy]ethoxy]propyl]acetamide 15c C[C@@]12[C@@H](O)CCC1C3CCC4=CC(O)=CC=C4C3[C@@H](O[R1])C2 CCCOCCOCCOCCCNC(C)=O O=C(C[R1])NCCCOCCOCCOCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]O[C@H]1C[C@@]2([C@H](CCC2C3C1C4=C(CC3)C=C(C=C4)O)O)C CCCOCCOCCOCCCNC(C)=O [R1]CC(=O)NCCCOCCOCCOCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12 12.0 0 linker/linker_3635.sdf warhead/warhead_3634.sdf e3_ligand/e3_ligand_7.sdf 3579 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CCN(C1=CC(C(C=C2)=CC=C2CN3CCN(C(CCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)=CC(C(NCC(C(NC(C)=C7)=O)=C7C)=O)=C1C)C8CCOCC8 CCN(C1=CC(C2=CC=C(CN3CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1 (2S,4R)-1-[(2S)-2-[[9-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenyl]methyl]piperazin-1-yl]-9-oxononanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 16 CCN(C1CCOCC1)C2=CC(C3=CC=C(CN4CCN([R1])CC4)C=C3)=CC(C(NCC5=C(C)C=C(C)NC5=O)=O)=C2C CCCCCCCC=O O=C([R1])CCCCCCC[R2] CC(C)(C)[C@@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)NC([R2])=O VHL P40337 [R1]N1CCN(CC1)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)N(CC)C4CCOCC4)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 140 140.0 1 linker/linker_257.sdf warhead/warhead_1048.sdf e3_ligand/e3_ligand_27.sdf 3580 P40337 von Hippel-Lindau VHL pVHL O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCNC(C/C=N/OCC(NCCOCCOCC(N[C@H](C(N2[C@H](C(NCC3=CC=C(C4=C(C)N=CS4)C=C3)=O)C[C@@H](O)C2)=O)C(C)(C)C)=O)=O)=O)=O)=O)C[C@H](O)C1)NCC5=CC=C(C6=C(C)N=CS6)C=C5 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCNC(=O)C/C=N/OCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)C(C)(C)C)C=C2)SC=N1 (2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[[(3E)-3-[2-[2-[2-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]iminopropanoyl]amino]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide WJ638 CC(C)(C)[C@@H](C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)NC([R1])=O COCCNC(C/C=N/OCC(NCCOCCOC)=O)=O O=C(NCCOCCOC[R1])CO/N=C/CC(NCCOC[R2])=O O=C([C@H]1N(C([C@H](C(C)(C)C)NC([R2])=O)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C COCCNC(=O)C/C=N/OCC(=O)NCCOCCOC [R1]COCCOCCNC(=O)CO/N=C/CC(=O)NCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 970 970.0 1 linker/linker_3637.sdf warhead/warhead_2382.sdf e3_ligand/e3_ligand_27.sdf 3581 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide LB15 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCC=O O=C([R2])CNCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCNCC=O [R1]C(=O)CNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/>20000 13333.333333333334 0 linker/linker_3638.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3582 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[3-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-3-oxopropyl]amino]acetamide LB16 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCC=O O=C([R2])CNCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCNCC=O [R1]C(=O)CCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000/>10000/>20000 13333.333333333334 0 linker/linker_3639.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3583 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutyl]amino]acetamide LB17 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCC=O O=C([R2])CNCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCNCC=O [R1]C(=O)CCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6800/8640/>20000 11813.333333333334 0 linker/linker_3640.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3584 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentyl]amino]acetamide LB18 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCC=O O=C([R2])CNCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCNCC=O [R1]C(=O)CCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5820/6530/>20000 10783.333333333334 0 linker/linker_3641.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3585 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]amino]acetamide LB19 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCC=O O=C([R2])CNCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCNCC=O [R1]C(=O)CCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4280/4950/>20000 9743.333333333334 0 linker/linker_3642.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3586 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[7-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-7-oxoheptyl]amino]acetamide LB20 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCC=O O=C([R2])CNCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCNCC=O [R1]C(=O)CCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 290/650/7750 2896.6666666666665 0 linker/linker_3643.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3587 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[8-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-8-oxooctyl]amino]acetamide LB21 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCC=O O=C([R2])CNCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCNCC=O [R1]C(=O)CCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 210/590/6080 2293.333333333333 0 linker/linker_3644.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3588 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[9-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-9-oxononyl]amino]acetamide LB22 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCCC=O O=C([R2])CNCCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCCNCC=O [R1]C(=O)CCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 130/220/4350 1566.6666666666667 0 linker/linker_3645.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3589 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[10-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-10-oxodecyl]amino]acetamide LB23 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCCCC=O O=C([R2])CNCCCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCCCNCC=O [R1]C(=O)CCCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 53/3200 31/77/2320 1626.5 809.3333333333334 0 linker/linker_3646.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3590 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[11-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-11-oxoundecyl]amino]acetamide LB24 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCCCCC=O O=C([R2])CNCCCCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCCCCNCC=O [R1]C(=O)CCCCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 53/160/4070 1427.6666666666667 0 linker/linker_3647.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3591 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[12-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-12-oxododecyl]amino]acetamide LB25 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCCCCCC=O O=C([R2])CNCCCCCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCCCCCNCC=O [R1]C(=O)CCCCCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34/65/3110 1069.6666666666667 0 linker/linker_3648.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3592 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CNCCCCCCCCCCCCC(N4CCN(C(C5=CC(CC6=NNC(C7=C6C=CC=C7)=O)=CC=C5F)=O)CC4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)CNCCCCCCCCCCCCC(=O)N4CCN(C(=O)C5=CC(CC6=N[NH]C(=O)C7=CC=CC=C67)=CC=C5F)CC4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[[13-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-13-oxotridecyl]amino]acetamide LB26 O=C(N1CCN([R1])CC1)C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F O=CCNCCCCCCCCCCCCC=O O=C([R2])CNCCCCCCCCCCCCC([R1])=O O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F O=CCCCCCCCCCCCCNCC=O [R1]C(=O)CCCCCCCCCCCCNCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 76/240/5030 1782.0 0 linker/linker_3649.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_7.sdf 3593 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)N(C([C@H](C(C)(C)C)NC(COCCOCCOC4=CC=C(Cl)C=C4C(NC5=CC=C([N+]([O-])=O)C=C5Cl)=O)=O)=O)C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOC3=CC=C(Cl)C=C3C(=O)NC3=CC=C([N+](=O)[O-])C=C3Cl)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide Niclosamide-PROTAC 4 O=C(NC1=CC=C([N+]([O-])=O)C=C1Cl)C2=CC(Cl)=CC=C2O[R1] COCCOCC [R1]CCOCCOC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)=O VHL P40337 [R1]OC1=C(C=C(C=C1)Cl)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2340/2370/4940 3216.6666666666665 0 linker/linker_243.sdf warhead/warhead_3650.sdf e3_ligand/e3_ligand_27.sdf 3594 P10275 Androgen receptor AR DHTR NR3C4 O[C@@H]1C[C@@H](C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)N(C([C@H](C(C)(C)C)N([H])C(COCCOCCN4C=C(N=N4)CCOC5=CC=C(Cl)C=C5C(NC6=CC=C([N+]([O-])=O)C=C6Cl)=O)=O)=O)C1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCN3C=C(CCOC4=CC=C(Cl)C=C4C(=O)NC4=CC=C([N+](=O)[O-])C=C4Cl)N=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[2-[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenoxy]ethyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide PROTAC 5 O=C(NC1=CC=C([N+]([O-])=O)C=C1Cl)C2=CC(Cl)=CC=C2O[R1] COCCOCCN1C=C(N=N1)CC [R1]CCC(N=N1)=CN1CCOCCOC[R2] [R2]C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)=O VHL P40337 [R1]OC1=C(C=C(C=C1)Cl)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl CCC1=CN(CCOCCOC)N=N1 [R1]CCC1=CN(N=N1)CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2790/1040/6880 3570.0 0 linker/linker_3199.sdf warhead/warhead_3650.sdf e3_ligand/e3_ligand_27.sdf 3595 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2C(=CC=CC=2C1=O)NCCOCCOCC(=O)N1CCC(CCC(=O)NC2=CC=C3C(=C2)N=CN(CC2(CCN(CC2)C(CC(C)C2=CC=CC=C2)=O)O)C3=O)CC1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)COCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 8 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCOCCOCC O=C([R1])COCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCOCCOCC=O [R1]C(=O)COCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_250.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3596 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)C(=O)N1CCC(CCC(=O)NC2C=C3C(=CC=2)C(=O)N(CC2(CCN(CC2)C(CC(C)C2=CC=CC=C2)=O)O)C=N3)CC1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 9 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_2135.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_616.sdf 3597 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2C(=CC=CC=2C1=O)NCCCCCC(=O)N1CCC(CC1)CCC(=O)NC1=CC=C2C(=C1)N=CN(CC1(CCN(CC1)C(CC(C)C1=CC=CC=C1)=O)O)C2=O)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 10 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCC O=C([R1])CCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_255.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3598 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)NCCCCCCCC(=O)N1CCC(CCC(=O)NC2=CC=C3C(=C2)N=CN(CC2(CCN(CC2)C(CC(C)C2=CC=CC=C2)=O)O)C3=O)CC1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 11 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCCCC O=C([R1])CCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_257.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3599 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2C(=CC=CC=2C1=O)NCCCCCOCCCCCOCCCCCC(=O)N1CCC(CCC(=O)NC2C=C3C(C(=O)N(CC4(CCN(CC4)C(CC(C4=CC=CC=C4)C)=O)O)C=N3)=CC=2)CC1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCCOCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[6-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]pentoxy]hexanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 12 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCCOCCCCCOCCCCC O=C([R1])CCCCCOCCCCCOCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCCOCCCCCOCCCCCC=O [R1]C(=O)CCCCCOCCCCCOCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3656.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3600 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2C(=CC=CC=2C1=O)NCCCCCCOCCCCCCOCCCCCC(=O)N1CCC(CCC(=O)NC2C=C3C(=CC=2)C(=O)N(C=N3)CC2(CCN(CC2)C(CC(C2=CC=CC=C2)C)=O)O)CC1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[6-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]hexoxy]hexanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 13 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCCOCCCCCCOCCCCCC O=C([R1])CCCCCOCCCCCCOCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCCCOCCCCCCOCCCCCC=O [R1]C(=O)CCCCCOCCCCCCOCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3657.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3601 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N(C1=CC=CC2=C1C(=O)N(C1C(NC(CC1)=O)=O)C2=O)CCCCOCCCCOCCCCOCCCCCC(=O)N1CCC(CC1)CCC(=O)NC1C=C2C(=CC=1)C(=O)N(CC1(CCN(CC1)C(CC(C)C1=CC=CC=C1)=O)O)C=N2 CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCCCOCCCCOCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[6-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]butoxy]butoxy]hexanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 14 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCCOCCCCOCCCCOCCCC O=C([R1])CCCCCOCCCCOCCCCOCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCOCCCCOCCCCOCCCCCC=O [R1]C(=O)CCCCCOCCCCOCCCCOCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3658.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3602 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=C(C=CC=C2C1=O)NCCCCCCOCCOCCOCCOCCOCCOCCCCCC(=O)N1CCC(CC1)CCC(=O)NC1C=C2C(C(=O)N(C=N2)CC2(CCN(CC2)C(CC(C2=CC=CC=C2)C)=O)O)=CC=1)=O)=O CC(CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[6-[2-[2-[2-[2-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexanoyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 15 O=C1C2=CC=C(NC(CCC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(CC(C)C5=CC=CC=C5)=O)O O=CCCCCCOCCOCCOCCOCCOCCOCCCCCC O=C([R1])CCCCCOCCOCCOCCOCCOCCOCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C2=O)C(N[R2])=CC=C3)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C)C5=CC=CC=C5)O CCCCCCOCCOCCOCCOCCOCCOCCCCCC=O [R1]C(=O)CCCCCOCCOCCOCCOCCOCCOCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3659.sdf warhead/warhead_3652.sdf e3_ligand/e3_ligand_7.sdf 3603 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)C(=O)N1CCC(CCC(=O)NC2C=C3C(=CC=2)C(=O)N(CC2(CCN(CC2)C(CC(C2=CC=CC=C2)C(F)(F)F)=O)O)C=N3)CC1)=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(C(=O)N5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1 3-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 16 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(CC(C5=CC=CC=C5)C(F)(F)F)=O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C5=CC=CC=C5)C(F)(F)F)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 79 79.0 1 linker/linker_2135.sdf warhead/warhead_3660.sdf e3_ligand/e3_ligand_616.sdf 3604 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1=O)N1CCC(CC1)C(=O)N1CCC(CCC(=O)NC2C=C3C(=CC=2)C(=O)N(CC2(CCN(CC2)C(C[C@@H](C)C2=CC=CC=C2)=O)O)C=N3)CC1)=O)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 17 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(C[C@@H](C)C5=CC=CC=C5)=O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 17 85 17.0 85.0 1 linker/linker_2135.sdf warhead/warhead_3661.sdf e3_ligand/e3_ligand_616.sdf 3605 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC(=CC=C2C1=O)N1CCC(CC1)C(=O)N1CCC(CC(=O)NC2=CC=C3C(=C2)N=CN(CC2(CCN(CC2)C(C[C@@H](C)C2=CC=CC=C2)=O)O)C3=O)CC1)=O)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CC4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 2-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide 18 O=C1C2=CC=C(NC(CC3CCN([R1])CC3)=O)C=C2N=CN1CC4(CCN(CC4)C(C[C@@H](C)C5=CC=CC=C5)=O)O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 53 53.0 0 linker/linker_2135.sdf warhead/warhead_3662.sdf e3_ligand/e3_ligand_616.sdf 3606 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1=O)N1CCC(C(=O)N2CCC(CC2)C(=O)NC2C=C3C(=CC=2)C(=O)N(C=N3)CC2(CCN(CC2)C(C[C@@H](C)C2=CC=CC=C2)=O)O)CC1)=O)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)C4CCN(C(=O)C5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]piperidine-4-carboxamide 19 OC1(CN2C=NC3=CC(NC(C4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(C[C@@H](C)C5=CC=CC=C5)=O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18 18.0 0 linker/linker_2135.sdf warhead/warhead_3663.sdf e3_ligand/e3_ligand_616.sdf 3607 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC(=CC=C2C1=O)N1CCN(CC1)CC(=O)N1CCC(CC1)CCC(=O)NC1C=C2C(=CC=1)C(N(C=N2)CC1(CCN(CC1)C(C[C@@H](C)C1C=CC=CC=1)=O)O)=O)=O)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(C(=O)CN5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]acetyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 20 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(C[C@@H](C)C5=CC=CC=C5)=O O=CCN1CCNCC1 O=C([R1])CN1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CCN1CCNCC1 [R1]C(=O)CN1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3664.sdf warhead/warhead_3661.sdf e3_ligand/e3_ligand_616.sdf 3608 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC(=C(C=C2C1=O)N1CCC(CC1)C(=O)N1CCC(CCC(=O)NC2C=C3C(=CC=2)C(=O)N(CC2(CCN(CC2)C(CC(C2=CC=CC=C2)C(F)(F)F)=O)O)C=N3)CC1)F)=O)=O O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(C(=O)N5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1 3-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 21 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(CC(C5=CC=CC=C5)C(F)(F)F)=O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=C(C=C3C2=O)F)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C5=CC=CC=C5)C(F)(F)F)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_2135.sdf warhead/warhead_3660.sdf e3_ligand/e3_ligand_2040.sdf 3609 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(C(CCC1=O)N1C(C2=CC(=C(C=C2C1=O)N1CCC(CN2CCC(CCC(=O)NC3C=C4C(=CC=3)C(=O)N(CC3(CCN(CC3)C(CC(C3=CC=CC=C3)C(F)(F)F)=O)O)C=N4)CC2)CC1)F)=O)=O O=C1CCC(N2C(=O)C3=CC(F)=C(N4CCC(CN5CCC(CCC(=O)NC6=CC=C7C(=O)N(CC8(O)CCN(C(=O)CC(C9=CC=CC=C9)C(F)(F)F)CC8)C=NC7=C6)CC5)CC4)C=C3C2=O)C(=O)N1 3-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-(4,4,4-trifluoro-3-phenylbutanoyl)piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 22 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(CC(C5=CC=CC=C5)C(F)(F)F)=O CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=CC([R2])=C(C=C3C2=O)F)=O CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)CC(C5=CC=CC=C5)C(F)(F)F)O CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_1946.sdf warhead/warhead_3660.sdf e3_ligand/e3_ligand_2040.sdf 3610 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP O=C1C(CCC(N1)=O)N2C(C3=CC(N4CCC(CC4)CN5CCC(CCC(NC(C=C6N=CN7CC8(O)CCN(CC8)C(C[C@@H](C)C9=CC=CC=C9)=O)=CC=C6C7=O)=O)CC5)=C(C=C3C2=O)F)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CCC4CCN(CC5CCN(C6=CC7=C(C=C6F)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 3-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]propanamide 23 OC1(CN2C=NC3=CC(NC(CCC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(C[C@@H](C)C5=CC=CC=C5)=O O=CCN1CCCCC1 O=C([R1])CN1CCC([R2])CC1 O=C1CCC(C(N1)=O)NC2=CC=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCC(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CCN1CCCCC1 [R1]C(=O)CN1CCC(CC1)[R2] [R2]C1=CC=C(C=C1)NC2CCC(=O)NC2=O 37 37.0 0 linker/linker_3667.sdf warhead/warhead_3661.sdf e3_ligand/e3_ligand_1946.sdf 3611 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP N1C(CCC(C1=O)NC1C=CC(=C(C=1)F)N1CCC(CC1)C(=O)N1CCC(CC1)CC(=O)NC1C=C2C(=CC=1)C(=O)N(CC1(CCN(CC1)C(C[C@@H](C)C1=CC=CC=C1)=O)O)C=N2)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=CC(NC(=O)CC4CCN(C(=O)C5CCN(C6=CC=C(NC7CCC(=O)NC7=O)C=C6F)CC5)CC4)=CC=C3C2=O)CC1)C1=CC=CC=C1 2-[1-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidine-4-carbonyl]piperidin-4-yl]-N-[3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-4-oxoquinazolin-7-yl]acetamide 24 OC1(CN2C=NC3=CC(NC(CC4CCN([R1])CC4)=O)=CC=C3C2=O)CCN(CC1)C(C[C@@H](C)C5=CC=CC=C5)=O O=CC1CCNCC1 O=C([R1])C1CCN([R2])CC1 O=C1CCC(C(N1)=O)NC2=CC(F)=C([R2])C=C2 CRBN Q96SW2 [R1]N1CCC(CC1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O O=CC1CCNCC1 [R1]C(=O)C1CCN(CC1)[R2] [R2]C1=C(C=C(C=C1)NC2CCC(=O)NC2=O)F <5 5.0 0 linker/linker_2135.sdf warhead/warhead_3662.sdf e3_ligand/e3_ligand_2249.sdf 3612 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCC(NCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-1 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCC(NCC)=O)C=C1 O=C(NCC[R2])COC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCNC(=O)COC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.8 25.8 0 linker/linker_3669.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3613 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCC(NCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-2 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCC(NCC)=O)C=C1 O=C(NCC[R2])CCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCNC(=O)CCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 44.3 44.3 0 linker/linker_3670.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3614 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-3 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCC)=O)C=C1 O=C(NCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 52.5 52.5 0 linker/linker_3671.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3615 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCC(NCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-6-oxohexoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-4 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCC(NCC)=O)C=C1 O=C(NCC[R2])CCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCNC(=O)CCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 72.9 72.9 1 linker/linker_3672.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3616 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCCC(NCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-7-oxoheptoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-5 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCCC(NCC)=O)C=C1 O=C(NCC[R2])CCCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCNC(=O)CCCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 65.2 65.2 0 linker/linker_3673.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3617 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCC(NCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-2-oxoethoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-6 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(C=C1)OCC(NCCC)=O O=C(NCCC[R2])COC(C=C1)=CC=C1CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCNC(=O)COC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 0 linker/linker_3674.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3618 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCC(NCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-4-oxobutoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-7 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCC(NCCC)=O)C=C1 O=C(NCCC[R2])CCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCNC(=O)CCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21.2 21.2 0 linker/linker_3675.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3619 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-8 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCC)=O)C=C1 O=C(NCCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.8 25.8 0 linker/linker_3676.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3620 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCC(NCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[6-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-6-oxohexoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-9 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCC(NCCC)=O)C=C1 O=C(NCCC[R2])CCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCNC(=O)CCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16.9 16.9 0 linker/linker_3677.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3621 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCCC(NCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[7-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-7-oxoheptoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-10 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCCC(NCCC)=O)C=C1 O=C(NCCC[R2])CCCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30.5 30.5 0 linker/linker_3678.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3622 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCC(NCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxoethoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-11 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCC(NCCCC)=O)C=C1 O=C(NCCCC[R2])COC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCNC(=O)COC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43.6 43.6 0 linker/linker_3679.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3623 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCC(NCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-4-oxobutoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-12 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCC(NCCCC)=O)C=C1 O=C(NCCCC[R2])CCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCNC(=O)CCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 20.8 20.8 0 linker/linker_3680.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3624 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-13 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCCC)=O)C=C1 O=C(NCCCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 53 53.0 0 linker/linker_3681.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3625 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCC(NCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-6-oxohexoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-14 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCC(NCCCC)=O)C=C1 O=C(NCCCC[R2])CCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.4 24.4 0 linker/linker_3682.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3626 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCCC(NCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[7-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-7-oxoheptoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-15 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCCC(NCCCC)=O)C=C1 O=C(NCCCC[R2])CCCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 19.8 19.8 0 linker/linker_3683.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3627 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCC(NCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-2-oxoethoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-16 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCC(NCCCCC)=O)C=C1 O=C(NCCCCC[R2])COC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCNC(=O)COC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 10.7 10.7 0 linker/linker_3684.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3628 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCC(NCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-4-oxobutoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-17 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCC(NCCCCC)=O)C=C1 O=C(NCCCCC[R2])CCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCNC(=O)CCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33.4 33.4 0 linker/linker_3685.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3629 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-18 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCCCC)=O)C=C1 O=C(NCCCCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 72.9 72.9 1 linker/linker_3686.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3630 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCC(NCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[6-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-6-oxohexoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-19 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCC(NCCCCC)=O)C=C1 O=C(NCCCCC[R2])CCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 51.7 51.7 0 linker/linker_3687.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3631 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCCC(NCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[7-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-7-oxoheptoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-20 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCCC(NCCCCC)=O)C=C1 O=C(NCCCCC[R2])CCCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 23.7 23.7 0 linker/linker_3688.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3632 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(COC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-2-oxoethoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-21 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])COC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)COC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 54.5 54.5 0 linker/linker_3689.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3633 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-4-oxobutoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-22 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])CCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)CCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 49.6 49.6 0 linker/linker_3690.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3634 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-23 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 147 85 147.0 85.0 1 linker/linker_3691.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3635 Q9UBN7 Histone deacetylase 6 HDAC6 HD6 O=C(NCCC1=CC=C(OCCCCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-23 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)CCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4950 4950.0 0 linker/linker_3691.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3636 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[6-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-6-oxohexoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-24 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])CCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)CCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45.2 45.2 0 linker/linker_3693.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3637 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCCCC(NCCCCCCNC2=CC=CC(C(N3C(CC4)C(NC4=O)=O)=O)=C2C3=O)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 3-N-[2-[4-[7-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-7-oxoheptoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-25 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCCCC(NCCCCCC)=O)C=C1 O=C(NCCCCCC[R2])CCCCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCCCCCNC(=O)CCCCCCOC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCCCC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25.6 25.6 0 linker/linker_3694.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_7.sdf 3638 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCN(C3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)CC2)=O)C=C1)C6=CC=CC(C(NO)=O)=C6 O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCOC5=CC=C(CCNC(=O)C6=CC=CC(C(=O)NO)=C6)C=C5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-26 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCNCC2)=O)C=C1 O=C(N1CCN([R2])CC1)CCCCOC2=CC=C(C=C2)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCNCC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 57.9 57.9 0 linker/linker_3695.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3639 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCC(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]piperidin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-27 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCC(N3CCNCC3)CC2)=O)C=C1 O=C(N1CCC(N2CCN([R2])CC2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCC(N3CCNCC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCC(CC2)N3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 43.2 43.2 0 linker/linker_3696.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3640 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCC(CN3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-28 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCC(CN3CCNCC3)CC2)=O)C=C1 O=C(N1CCC(CN2CCN([R2])CC2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCC(CN3CCNCC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCC(CC2)CN3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 43.6 43.6 0 linker/linker_3697.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3641 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CC(N3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)C2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C5CN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)C5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]azetidin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-29 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CC(N3CCNCC3)C2)=O)C=C1 O=C(N1CC(N2CCN([R2])CC2)C1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CC(N3CCNCC3)C2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CC(C2)N3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 39.5 39.5 0 linker/linker_3698.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3642 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CC(CN3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)C2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)C5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]azetidin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-30 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CC(CN3CCNCC3)C2)=O)C=C1 O=C(N1CC(CN2CCN([R2])CC2)C1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CC(CN3CCNCC3)C2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CC(C2)CN3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6.54 6.54 0 linker/linker_3699.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3643 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCN(C3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCC(N5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]piperazin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-31 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCN(C3CCNCC3)CC2)=O)C=C1 O=C(N1CCN(C2CCN([R2])CC2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCN(C3CCNCC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 876 74.4 876.0 74.4 1 linker/linker_3700.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3644 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCN(CC3CCN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)CC3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CCC(CN5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)CC4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-32 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCN(CC3CCNCC3)CC2)=O)C=C1 O=C(N1CCN(CC2CCN([R2])CC2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCN(CC3CCNCC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)CC3CCN(CC3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 48.3 48.3 0 linker/linker_3701.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3645 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCN(C3CN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)C3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CC(N5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)C4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]azetidin-3-yl]piperazin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-33 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCN(C3CNC3)CC2)=O)C=C1 O=C(N1CCN(C2CN([R2])C2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCN(C3CNC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)C3CN(C3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 59.6 59.6 0 linker/linker_3702.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3646 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(N2CCN(CC3CN(C4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)C3)CC2)=O)C=C1)C7=CC=CC(C(NO)=O)=C7 O=C1CCC(N2C(=O)C3=CC=CC(N4CC(CN5CCN(C(=O)CCCCOC6=CC=C(CCNC(=O)C7=CC=CC(C(=O)NO)=C7)C=C6)CC5)C4)=C3C2=O)C(=O)N1 3-N-[2-[4-[5-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]azetidin-3-yl]methyl]piperazin-1-yl]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-34 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(N2CCN(CC3CNC3)CC2)=O)C=C1 O=C(N1CCN(CC2CN([R2])C2)CC1)CCCCOC3=CC=C(C=C3)CC[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)N2CCN(CC3CNC3)CC2)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)N2CCN(CC2)CC3CN(C3)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 56.3 56.3 0 linker/linker_3703.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_16.sdf 3647 Q9BY41 Histone deacetylase 8 HDAC8 HDACL1 HD8 O=C(NCCC1=CC=C(OCCCCC(NCCCCCCNC2=CC3=C(C(N(C(CC4)C(NC4=O)=O)C3=O)=O)C=C2)=O)C=C1)C5=CC=CC(C(NO)=O)=C5 O=C(CCCCOC1=CC=C(CCNC(=O)C2=CC=CC(C(=O)NO)=C2)C=C1)NCCCCCCNC1=CC=C2C(=O)N(C3CCC(=O)NC3=O)C(=O)C2=C1 3-N-[2-[4-[5-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexylamino]-5-oxopentoxy]phenyl]ethyl]-1-N-hydroxybenzene-1,3-dicarboxamide ZQ-35 O=C(N[R1])C1=CC=CC(C(NO)=O)=C1 CCC1=CC=C(OCCCCC(NCCCCCCN)=O)C=C1 O=C(NCCCCCCN[R2])CCCCOC1=CC=C(C=C1)CC[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C1=CC(=CC=C1)C(=O)NO CCC1=CC=C(OCCCCC(=O)NCCCCCCN)C=C1 [R1]CCC1=CC=C(C=C1)OCCCCC(=O)NCCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 441 68.9 441.0 68.9 1 linker/linker_3704.sdf warhead/warhead_3669.sdf e3_ligand/e3_ligand_616.sdf 3648 Q96C86 M7GpppX diphosphatase DcpS DCS1 HINT5 NC1=NC2C=CC=C(C=2C(N)=N1)OCC1CCN(CC1)CC1=CC=CC(=C1)OCCOCCOCCOCCOCCOCCOC1=CC(=CC=C1CNC([C@H]1C[C@@H](O)CN1C([C@H]([C@H](C)C)N1CC2C=CC=CC=2C1=O)=O)=O)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@H]3C[C@@H](O)CN3C(=O)[C@H](C(C)C)N3CC4=CC=CC=C4C3=O)C(OCCOCCOCCOCCOCCOCCOC3=CC=CC(CN4CCC(COC5=CC=CC6=NC(N)=NC(N)=C56)CC4)=C3)=C2)SC=N1 (2R,4R)-N-[[2-[2-[2-[2-[2-[2-[2-[3-[[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide JCS-1 NC1=NC2=C(C(N)=N1)C(OCC3CCN([R1])CC3)=CC=C2 CC1=CC=CC(OCCOCCOCCOCCOCCOCC)=C1 [R1]CC1=CC=CC(OCCOCCOCCOCCOCCOCC[R2])=C1 O[C@@H](CN1C([C@@H](N2CC3=C(C2=O)C=CC=C3)C(C)C)=O)C[C@@H]1C(NCC4=CC=C(C5=C(N=CS5)C)C=C4O[R2])=O VHL P40337 [R1]N1CCC(CC1)COC2=CC=CC3=C2C(=NC(=N3)N)N CCOCCOCCOCCOCCOCCOC1=CC=CC(C)=C1 [R1]CC1=CC(=CC=C1)OCCOCCOCCOCCOCCOCC[R2] [R2]OC1=C(C=CC(=C1)C2=C(N=CS2)C)CNC(=O)[C@H]3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=O)O 87 1100 87.0 1100.0 1 linker/linker_3705.sdf warhead/warhead_3705.sdf e3_ligand/e3_ligand_3660.sdf 3649 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[6-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 3 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCC [R1]CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.6 1.6 0 linker/linker_2.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3650 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[7-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 4 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCC [R1]CCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 6.3 6.3 0 linker/linker_12.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3651 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[9-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 6 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCC [R1]CCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0.7 0.7 0 linker/linker_33.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3652 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[10-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]decanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 7 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCC [R1]CCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.2 1.2 0 linker/linker_34.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3653 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[11-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCC [R1]CCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1430/940 2740/5490 58.9 1185.0 58.9 4115.0 0 linker/linker_35.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3654 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[12-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]dodecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 9 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1.5 1.5 0 linker/linker_36.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3655 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[13-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]tridecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 10 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 38 38.0 0 linker/linker_2328.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3656 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[14-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]tetradecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 11 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCCCC [R1]CCCCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCCCC [R1]CCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 45.2 45.2 0 linker/linker_3713.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3657 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[15-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]pentadecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 12 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCCCCC [R1]CCCCCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCCCCC [R1]CCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 33.1 33.1 0 linker/linker_3714.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3658 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCCCCCCCCCCCCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[16-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]hexadecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 13 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCCCCCC [R1]CCCCCCCCCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCCCCCC [R1]CCCCCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16.4 16.4 0 linker/linker_3715.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3659 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOCCOCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCOCCOCCOC [R1]CCOCCOCCOC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCOCCOCCOC [R1]CCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10.7 10.7 0 linker/linker_168.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3660 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCOCCOCCOCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.4 7.4 0 linker/linker_15.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3661 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCOCCOCCOCCOCCNCC2=CC(C)=C(C3=C(C4=CC=NC5=CC(F)=CC=C45)N(C)C=N3)C(C)=C2)=O)=O)C[C@H](O)C1)N[C@H](C6=CC=C(C7=C(C)N=CS7)C=C6)C CC1=CC(CNCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)C(C)(C)C)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[2-[2-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCOCCOCCOCCOCC [R1]CCOCCOCCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 7.7 7.7 0 linker/linker_238.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3662 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CN2CCN(CCCCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[4-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]butyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 18 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CN1CCN(CCCC)CC1 [R1]CCCCN1CCN(C[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCN1CCN(C)CC1 [R1]CCCCN1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 11.1 11.1 0 linker/linker_3719.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3663 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CN2CCN(CCCCCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[5-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]pentyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 19 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CN1CCN(CCCCC)CC1 [R1]CCCCCN1CCN(C[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCN1CCN(C)CC1 [R1]CCCCCN1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 53.5 53.5 0 linker/linker_3720.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3664 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CN2CCN(CCCCCCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCCCCCN2CCN(CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[[2-[4-[6-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]hexyl]piperazin-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 20 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CN1CCN(CCCCCC)CC1 [R1]CCCCCCN1CCN(C[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCN1CCN(C)CC1 [R1]CCCCCCN1CCN(CC1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 37.6 37.6 0 linker/linker_3721.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3665 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCN2CCN(CCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCN2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[4-[4-[2-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]ethyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 21 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCN1CCN(CC)CC1 [R1]CCN1CCN(CCC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCN1CCN(CC)CC1 [R1]CCN1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9.1 9.1 0 linker/linker_2334.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3666 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCN2CCN(CCCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCCN2CCN(CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[3-[4-[3-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]propyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 22 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCN1CCN(CCC)CC1 [R1]CCCN1CCN(CC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCN1CCN(CC)CC1 [R1]CCCN1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25.8 25.8 0 linker/linker_2334.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3667 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C([C@H]1N(C([C@@H](NC(CCCN2CCN(CCCNCC3=CC(C)=C(C4=C(C5=CC=NC6=CC(F)=CC=C56)N(C)C=N4)C(C)=C3)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C7=CC=C(C8=C(C)N=CS8)C=C7)C CC1=CC(CNCCCN2CCN(CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)C3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)CC2)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 (2S,4R)-1-[(2S)-2-[4-[4-[3-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]propyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCN1CCN(CCC)CC1 [R1]CCCN1CCN(CCC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C VHL P40337 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCN1CCN(CCC)CC1 [R1]CCCN1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13.8 13.8 0 linker/linker_3724.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_23.sdf 3668 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCNCC4=CC(C)=C(C(C)=C4)C(N=C5)=C(N5C)C6=CC=NC7=CC(F)=CC=C76)C2=O)=O CC1=CC(CNCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 2-(2,6-dioxopiperidin-3-yl)-4-[9-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]nonylamino]isoindole-1,3-dione 24 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCC [R1]CCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.7 1.7 0 linker/linker_34.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_7.sdf 3669 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCCNCC4=CC(C)=C(C(C)=C4)C(N=C5)=C(N5C)C6=CC=NC7=CC(F)=CC=C76)C2=O)=O CC1=CC(CNCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 2-(2,6-dioxopiperidin-3-yl)-4-[10-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]decylamino]isoindole-1,3-dione 25 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCC [R1]CCCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21 21.0 0 linker/linker_35.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_7.sdf 3670 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCCCNCC4=CC(C)=C(C(C)=C4)C(N=C5)=C(N5C)C6=CC=NC7=CC(F)=CC=C76)C2=O)=O CC1=CC(CNCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 2-(2,6-dioxopiperidin-3-yl)-4-[11-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]undecylamino]isoindole-1,3-dione 26 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 15.6 15.6 0 linker/linker_36.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_7.sdf 3671 Q9BZ95 Histone-lysine N-methyltransferase NSD3 NSD3 WHSC1L1 DC28 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCCCCNCC4=CC(C)=C(C(C)=C4)C(N=C5)=C(N5C)C6=CC=NC7=CC(F)=CC=C76)C2=O)=O CC1=CC(CNCCCCCCCCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=CC(C)=C1C1=C(C2=CC=NC3=CC(F)=CC=C23)N(C)C=N1 2-(2,6-dioxopiperidin-3-yl)-4-[12-[[4-[5-(7-fluoroquinolin-4-yl)-1-methylimidazol-4-yl]-3,5-dimethylphenyl]methylamino]dodecylamino]isoindole-1,3-dione 27 CC1=C(C2=C(C3=CC=NC4=CC(F)=CC=C34)N(C)C=N2)C(C)=CC(CN[R1])=C1 CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NCC1=CC(=C(C(=C1)C)C2=C(N(C=N2)C)C3=C4C=CC(=CC4=NC=C3)F)C CCCCCCCCCCCC [R1]CCCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.5 1.5 0 linker/linker_2328.sdf warhead/warhead_3706.sdf e3_ligand/e3_ligand_7.sdf 3672 Q93009 Ubiquitin carboxyl-terminal hydrolase 7 USP7 HAUSP O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCCCCCNCC4=CC=C(C5=C(C6=NN5C)N=CN(CC7(O)CCN(C(C[C@H](C8=CC=CC=C8)C)=O)CC7)C6=O)C=C4)=O C[C@H](CC(=O)N1CCC(O)(CN2C=NC3=C(C4=CC=C(CNCCCCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C=C4)N(C)N=C3C2=O)CC1)C1=CC=CC=C1 2-(2,6-dioxopiperidin-3-yl)-4-[11-[[4-[6-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-3-yl]phenyl]methylamino]undecylamino]isoindole-1,3-dione U7D-1 O=C1C2=NN(C)C(C3=CC=C(C=C3)CN[R1])=C2N=CN1CC4(O)CCN(C(C[C@H](C5=CC=CC=C5)C)=O)CC4 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N[R2])=O CRBN Q96SW2 [R1]NCC1=CC=C(C=C1)C2=C3C(=NN2C)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C)C5=CC=CC=C5)O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 33 79.4/227.0/830.3 33.0 378.8999999999999 1 linker/linker_36.sdf warhead/warhead_3729.sdf e3_ligand/e3_ligand_7.sdf 3673 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]propanamide 13a C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCC=O O=C([R2])CC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCC=O [R1]CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 35.5 58.1/1210/>100000 35.5 33756.03333333333 1 linker/linker_522.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3674 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-4-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]butanamide 13b C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCC=O O=C([R2])CCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCC=O [R1]CCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 13.2 46.8/1120/>100000 13.2 33722.26666666667 1 linker/linker_232.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3675 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-5-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]pentanamide 13c C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCC=O O=C([R2])CCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1020/309/>100000 33776.333333333336 0 linker/linker_443.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3676 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]hexanamide 13d C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCCC=O O=C([R2])CCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3560/649/>100000 34736.333333333336 0 linker/linker_255.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3677 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-7-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]heptanamide 13e C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCCCC=O O=C([R2])CCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1110/358/>100000 33822.666666666664 0 linker/linker_256.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3678 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-8-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]octanamide 13f C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 1360/457/>100000 33939.0 0 linker/linker_257.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3679 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-9-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]nonanamide 13g C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCCCCCC=O O=C([R2])CCCCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCCCCCC=O [R1]CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 3230/1160/>100000 34796.666666666664 0 linker/linker_419.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3680 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)CCCCCCCCCN(CCN(C4=CC(OC)=C(NC5=NC=CC(C6=CN(C)C7=C6C=CC=C7)=N5)C=C4NC(C=C)=O)C)CC#C C#CCN(CCCCCCCCCC(=O)NC1=CC=CC2=C1CN(C1CCC(=O)NC1=O)C2=O)CCN(C)C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=CC=CC=C34)=N2)C=C1NC(=O)C=C N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-10-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]decanamide 13h C#CCN([R1])CCN(C1=CC(OC)=C(NC2=NC=CC(C3=CN(C)C4=C3C=CC=C4)=N2)C=C1NC(C=C)=O)C CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N(CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C)OC)CC#C CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 6800/2650/>100000 36483.333333333336 0 linker/linker_258.sdf warhead/warhead_3730.sdf e3_ligand/e3_ligand_17.sdf 3681 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(C(CCCCCCCCCCNC(C[C@@H](C4=CC=C(C5=C(C)N=CS5)C=C4)NC([C@H]6N(C([C@@H](C7=CC(C)=NO7)C(C)C)=O)C[C@H](O)C6)=O)=O)=O)CC3)C(OC)=C8)C8=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCCCCCCCCCNC(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](C2=CC(C)=NO2)C(C)C)C2=CC=C(C3=C(C)N=CS3)C=C2)CC1 (2S,4R)-N-[(1S)-3-[[11-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-11-oxoundecyl]amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide 31 MS9449 COC1=CC2=NC=NC(NC3=CC(Cl)=C(F)C=C3)=C2C=C1OCCCN4CCN([R1])CC4 O=CCCCCCCCCCC O=C([R1])CCCCCCCCCC[R2] O=C(N[R2])C[C@H](NC([C@@H]1C[C@H](CN1C([C@@H](C2=CC(C)=NO2)C(C)C)=O)O)=O)C3=CC=C(C4=C(C)N=CS4)C=C3 VHL P40337 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC[R2] [R2]NC(=O)C[C@@H](C1=CC=C(C=C1)C2=C(N=CS2)C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](C4=CC(=NO4)C)C(C)C)O 7.1 7.1 1 linker/linker_461.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_45.sdf 3682 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 FC(C=C1)=C(Cl)C=C1NC2=C(C=C(OCCCN3CCN(C(CCOCCOCCOCCOCCOCCNC4=CC=C5C(C(N(C6CCC(NC6=O)=O)C5=O)=O)=C4)=O)CC3)C(OC)=C7)C7=NC=N2 COC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1OCCCN1CCN(C(=O)CCOCCOCCOCCOCCOCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 5-[2-[2-[2-[2-[2-[3-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 72 MS9427 COC1=CC2=NC=NC(NC3=CC(Cl)=C(F)C=C3)=C2C=C1OCCCN4CCN([R1])CC4 O=CCCOCCOCCOCCOCCOCCN O=C([R1])CCOCCOCCOCCOCCOCCN[R2] O=C(C1=CC([R2])=CC=C21)N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)CCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC NCCOCCOCCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCCOCCOCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 82 82.0 1 linker/linker_3739.sdf warhead/warhead_485.sdf e3_ligand/e3_ligand_616.sdf 3683 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C(N(CC1=C2C=CC(C#CCN3CCN(C(/C=C/C(N4C[C@H](N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C8=C(N)N=CN=C85)CCC4)=O)=O)CC3)=C1)C2=O)CC9)NC9=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)/C=C/C(=O)N2CCN(CC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC2)C1 3-[6-[3-[4-[(E)-4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-4-oxobut-2-enoyl]piperazin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione C6 NC(N=CN=C12)=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@H]5CN([R1])CCC5 C#CCN1CCN(CC1)C(/C=C/C=O)=O O=C([R1])/C=C/C(N(CC1)CCN1CC#C[R2])=O O=C(C(N(CC1=C2C=CC([R2])=C1)C2=O)CC3)NC3=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(C(=O)/C=C/C=O)CC1 [R1]C(=O)/C=C/C(=O)N1CCN(CC1)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 296.1 296.1 1 linker/linker_3740.sdf warhead/warhead_229.sdf e3_ligand/e3_ligand_21.sdf 3684 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C([C@H]1[C@@H](C(N2C[C@H](N3N=C(C4=CC=C(OC5=CC=CC=C5)C=C4)C6=C(N)N=CN=C63)CCC2)=O)CCCC1)NCC#CCN7CCN(CC#CC8=CC9=C(C(N(C(CC%10)C(NC%10=O)=O)C9)=O)C=C8)CC7 NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)NCC#CCN2CCN(CC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC2)C1 (1R,2S)-2-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-N-[4-[4-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]prop-2-ynyl]piperazin-1-yl]but-2-ynyl]cyclohexane-1-carboxamide C9 NC(N=CN=C12)=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@H]5CN([R1])CCC5 O=C(NCC#CCN1CCN(CC1)CC#C)[C@H]2[C@H](CCCC2)C=O O=C(NCC#CCN1CCN(CC1)CC#C[R2])[C@H]2[C@H](CCCC2)C([R1])=O O=C(C(N(CC1=C2C=CC([R2])=C1)C2=O)CC3)NC3=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(CC#CCNC(=O)[C@@H]2CCCC[C@@H]2C=O)CC1 [R1]C(=O)[C@H]1CCCC[C@H]1C(=O)NCC#CCN2CCN(CC2)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 791.6 791.6 1 linker/linker_3741.sdf warhead/warhead_229.sdf e3_ligand/e3_ligand_21.sdf 3685 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C(N(CC1=C2C=CC(C#CCN3CCN(C([C@H]4CC[C@H](C(N5C[C@H](N6N=C(C7=CC=C(OC8=CC=CC=C8)C=C7)C9=C(N)N=CN=C96)CCC5)=O)CC4)=O)CC3)=C1)C2=O)CC%10)NC%10=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCN(CC#CC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)CC2)C1 3-[6-[3-[4-[4-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione C12 NC(N=CN=C12)=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2[C@H]5CN([R1])CCC5 C#CCN1CCN(CC1)C([C@H]2CC[C@@H](CC2)C=O)=O O=C([R1])[C@H](CC1)CC[C@@H]1C(N(CC2)CCN2CC#C[R2])=O O=C(C(N(CC1=C2C=CC([R2])=C1)C2=O)CC3)NC3=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCN(C(=O)[C@H]2CC[C@H](C=O)CC2)CC1 [R1]C(=O)[C@H]1CC[C@@H](CC1)C(=O)N2CCN(CC2)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1943.67 1943.67 0 linker/linker_3742.sdf warhead/warhead_229.sdf e3_ligand/e3_ligand_21.sdf 3686 Q06187 Bruton's tyrosine kinase BTK BPK ATK O=C(C(N(CC1=C2C=CC(C#CCN3CCC(N4CCC(N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C8=C(N)N=CN=C85)CC4)CC3)=C1)C2=O)CC9)NC9=O NC1=NC=NC2=C1C(C1=CC=C(OC3=CC=CC=C3)C=C1)=NN2C1CCN(C2CCN(CC#CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC2)CC1 3-[6-[3-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]piperidin-1-yl]prop-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione C13 NC(N=CN=C12)=C1C(C3=CC=C(C=C3)OC4=CC=CC=C4)=NN2C5CCN([R1])CC5 C#CCN1CCCCC1 [R1]C(CC1)CCN1CC#C[R2] O=C(C(N(CC1=C2C=CC([R2])=C1)C2=O)CC3)NC3=O CRBN Q96SW2 [R1]N1CCC(CC1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N C#CCN1CCCCC1 [R1]C1CCN(CC1)CC#C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 5.84 104.69 5.84 104.69 1 linker/linker_3743.sdf warhead/warhead_247.sdf e3_ligand/e3_ligand_21.sdf 3687 O14965 Aurora kinase A AURKA ARK1 AIK O=C1C(N2C(C3=C(C=CC=C3OCCOCCOCCOCCNC(C4=CC=C(NC5=NC6=C(CN=C(C7=C(F)C=CC=C7OC)C8=CC(Cl)=CC=C86)C=N5)C=C4OC)=O)C2=O)=O)CCC(N1)=O COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCCOCCOC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-N-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]ethyl]-2-methoxybenzamide dAurA383 COC1=CC(NC2=NC3=C(CN=C(C4=C(F)C=CC=C4OC)C5=CC(Cl)=CC=C53)C=N2)=CC=C1C(N[R1])=O OCCOCCOCCOCC [R1]CCOCCOCCOCCO[R2] O=C(N1C2C(NC(CC2)=O)=O)C(C=CC=C3[R2])=C3C1=O CRBN Q96SW2 [R1]NC(=O)C1=C(C=C(C=C1)NC2=NC=C3CN=C(C4=C(C3=N2)C=CC(=C4)Cl)C5=C(C=CC=C5F)OC)OC CCOCCOCCOCCO [R1]CCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3040/1170 2105.0 0 linker/linker_204.sdf warhead/warhead_3744.sdf e3_ligand/e3_ligand_16.sdf 3688 O14965 Aurora kinase A AURKA ARK1 AIK O=C(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@H](C1)O)C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O)=O)=O)C(C(OC)=C4)=CC=C4NC5=NC6=C(C=N5)CN=C(C(C(OC)=CC=C7)=C7F)C8=CC(Cl)=CC=C68 COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCOCCOCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC1=CC=C(C2=C(C)N=CS2)C=C1)C(C)(C)C (2S,4R)-1-[(2S)-2-[[2-[2-[2-[[4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzoyl]amino]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide dAurA425 COC1=CC(NC2=NC3=C(CN=C(C4=C(F)C=CC=C4OC)C5=CC(Cl)=CC=C53)C=N2)=CC=C1C(N[R1])=O COCCOCC [R1]CCOCCOC[R2] O[C@@H](CN1C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H]1C(NCC(C=C2)=CC=C2C3=C(C)N=CS3)=O VHL P40337 [R1]NC(=O)C1=C(C=C(C=C1)NC2=NC=C3CN=C(C4=C(C3=N2)C=CC(=C4)Cl)C5=C(C=CC=C5F)OC)OC CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 9230/3750 6490.0 0 linker/linker_243.sdf warhead/warhead_3744.sdf e3_ligand/e3_ligand_27.sdf 3689 O14965 Aurora kinase A AURKA ARK1 AIK N(CCCCCCCCNC([C@H](CC(C)C)NC([C@H]([C@@H](CC1C=CC=CC=1)N)O)=O)=O)C(C1C(=CC(=CC=1)NC1N=CC2C/N=C(\C3C(C=2N=1)=CC=C(C=3)Cl)/C1=C(C=CC=C1OC)F)OC)=O COC1=CC(NC2=NC=C3CN=C(C4=C(F)C=CC=C4OC)C4=CC(Cl)=CC=C4C3=N2)=CC=C1C(=O)NCCCCCCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1 N-[8-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]octyl]-4-[[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]-2-methoxybenzamide dAurA450 COC1=CC(NC2=NC3=C(CN=C(C4=C(F)C=CC=C4OC)C5=CC(Cl)=CC=C53)C=N2)=CC=C1C(N[R1])=O CCCCCCCC [R1]CCCCCCCC[R2] O=C(N[R2])[C@H](CC(C)C)NC([C@H]([C@@H](CC1=CC=CC=C1)N)O)=O cIAP1 Q13490 [R1]NC(=O)C1=C(C=C(C=C1)NC2=NC=C3CN=C(C4=C(C3=N2)C=CC(=C4)Cl)C5=C(C=CC=C5F)OC)OC CCCCCCCC [R1]CCCCCCCC[R2] [R2]NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 3410/3190 3300.0 0 linker/linker_33.sdf warhead/warhead_3744.sdf e3_ligand/e3_ligand_3701.sdf 3690 P31749 RAC-alpha serine/threonine-protein kinase AKT1 PKB RAC O=C(C1=CC(C2=C(Cl)C=NN2C)=C(Cl)O1)N[C@@H]3CN[C@H](CC(NC4=CC=C(OCCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)C=C4)=O)C[C@H]3C8=CC=CC(F)=C8 CN1N=CC(Cl)=C1C1=C(Cl)OC(C(=O)N[C@@H]2CN[C@H](CC(=O)NC3=CC=C(OCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)C=C3)C[C@H]2C2=CC=CC(F)=C2)=C1 5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)-N-[(3S,4S,6S)-6-[2-[4-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]anilino]-2-oxoethyl]-4-(3-fluorophenyl)piperidin-3-yl]furan-2-carboxamide B4 O=C(N[C@@H]1CN[C@@H](C[C@H]1C2=CC=CC(F)=C2)CC(N[R1])=O)C3=CC(C4=C(C=NN4C)Cl)=C(O3)Cl CCOCCOCCOC1=CC=CC=C1 [R1]C1=CC=C(OCCOCCOCC[R2])C=C1 O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NC(=O)C[C@@H]1C[C@H]([C@@H](CN1)NC(=O)C2=CC(=C(O2)Cl)C3=C(C=NN3C)Cl)C4=CC(=CC=C4)F CCOCCOCCOC1=CC=CC=C1 [R1]C1=CC=C(C=C1)OCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 28 205.1/2274.33/23.45 28.0 834.2933333333332 1 linker/linker_3747.sdf warhead/warhead_3747.sdf e3_ligand/e3_ligand_7.sdf 3691 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)N=C2)=CC7=C1C=NN7C(C)C)NCC8=C(C)C=C(C)NC8=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U1a O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCCC=O O=C([R1])CCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCC=O [R1]C(=O)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >40000/>40000 40000.0 0 linker/linker_443.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3692 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)N=C2)=CC7=C1C=NN7C(C)C)NCC8=C(C)C=C(C)NC8=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U1b O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCCCCC=O O=C([R1])CCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCC=O [R1]C(=O)CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25210/8240 16725.0 0 linker/linker_256.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3693 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)CC3)N=C2)=CC7=C1C=NN7C(C)C)NCC8=C(C)C=C(C)NC8=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U1c O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCCCCCC=O O=C([R1])CCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 5150/3080 4115.0 0 linker/linker_257.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3694 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CN4N=NC(CCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[4-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]triazol-1-yl]acetyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2a O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCC1=CN(N=N1)CC=O O=C([R1])CN1N=NC(CC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCC1=CN(CC=O)N=N1 [R1]C(=O)CN1C=C(N=N1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >40000/>40000 40000.0 0 linker/linker_3751.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3695 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CN4N=NC(CCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[4-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]triazol-1-yl]acetyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2b O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCC1=CN(N=N1)CC=O O=C([R1])CN1N=NC(CCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCC1=CN(CC=O)N=N1 [R1]C(=O)CN1C=C(N=N1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >40000/>40000 40000.0 0 linker/linker_1879.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3696 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CN4N=NC(CCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[4-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-1-yl]acetyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2c O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCCC1=CN(N=N1)CC=O O=C([R1])CN1N=NC(CCCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCC1=CN(CC=O)N=N1 [R1]C(=O)CN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >40000/>40000 40000.0 0 linker/linker_1903.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3697 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCN4N=NC(CCCCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@@H](O)C[C@@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[5-[4-[5-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-1-yl]pentanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2d O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O O=CCCCCN1N=NC(CCCC)=C1 O=C([R1])CCCCN1N=NC(CCCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCC1=CN(CCCCC=O)N=N1 [R1]C(=O)CCCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >40000/>40000 40000.0 0 linker/linker_1895.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3698 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(NCC1=C(C=C(NC1=O)C)C)C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCN5N=NC(CCCCC(N[C@@H](C(C)(C)C)C(N6[C@@H](C[C@H](C6)O)C(NCC7=CC=C(C=C7)C8=C(N=CS8)C)=O)=O)=O)=C5)=O)=CC9=C2C=NN9C(C)C CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[4-[5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentyl]triazol-1-yl]hexanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2e O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCCCC1=CN(N=N1)CCCCCC=O O=C([R1])CCCCCN1N=NC(CCCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCC1=CN(CCCCCC=O)N=N1 [R1]C(=O)CCCCCN1C=C(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 35410/23250 29330.0 0 linker/linker_1899.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3699 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCCN4N=NC(CCCCCC(N[C@@H](C(C)(C)C)C(N5[C@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[4-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]triazol-1-yl]hexanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2f O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O O=CCCCCCN1N=NC(CCCCC)=C1 O=C([R1])CCCCCN1N=NC(CCCCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCC1=CN(CCCCCC=O)N=N1 [R1]C(=O)CCCCCN1C=C(N=N1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 26290/14470 20380.0 0 linker/linker_3756.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3700 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(C1=CC(C2=CC=C(N3CCN(C(CCCCCN4N=NC(CCCCCCCCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)C[C@H](O)C5)=O)=O)=C4)=O)CC3)N=C2)=CC8=C1C=NN8C(C)C)NCC9=C(C)C=C(C)NC9=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCN5C=C(CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@@H](O)C[C@@H]6C(=O)NCC6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[4-[9-[[(2S)-1-[(2R,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononyl]triazol-1-yl]hexanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U2g O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O O=CCCCCCN1N=NC(CCCCCCCC)=C1 O=C([R1])CCCCCN1N=NC(CCCCCCCC[R2])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O VHL P40337 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCCCC1=CN(CCCCCC=O)N=N1 [R1]C(=O)CCCCCN1C=C(N=N1)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 16350/7630 11990.0 0 linker/linker_3757.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_27.sdf 3701 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[3-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]propanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3a O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCC=O O=C([R1])CCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCC=O)N=N1 [R1]C(=O)CCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >40000/>40000 40000.0 0 linker/linker_3758.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3702 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3b O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCC=O O=C([R1])CCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCC=O)N=N1 [R1]C(=O)CCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >40000/33600 36800.0 0 linker/linker_3759.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3703 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[5-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pentanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3c O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCC=O O=C([R1])CCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCCC=O)N=N1 [R1]C(=O)CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 30310/22280 26295.0 0 linker/linker_3760.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3704 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]hexanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3d O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCC=O O=C([R1])CCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCCCC=O)N=N1 [R1]C(=O)CCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16130/10730 13430.0 0 linker/linker_3761.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3705 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3e O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1210/890 1050.0 0 linker/linker_3762.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3706 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3f O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >40000/>40000 40000.0 0 linker/linker_3763.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3707 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3g O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >40000/23200 31600.0 0 linker/linker_3764.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3708 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3h O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 19200/2030 10615.0 0 linker/linker_3765.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3709 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3i O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 570/380 475.0 1 linker/linker_3766.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3710 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)C(CCCCCCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3j O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1630/1010 1320.0 0 linker/linker_3767.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3711 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)CCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(CCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3k O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCC [R1]CCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCC1=CN(CCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5050/2860 3955.0 0 linker/linker_1719.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3712 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN(CC4)CCCCCCC(N=N5)=CN5CCOCCOCCOCCOCCOCCNC6=CC=CC(C7=O)=C6C(N7C(C8=O)CCC(N8)=O)=O)=CC9=C2C=NN9C(C)C)=O CC1=CC(C)=C(CNC(=O)C2=CC(C3=CC=C(N4CCN(CCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)=CC3=C2C=NN3C(C)C)C(=O)[NH]1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[6-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]hexyl]piperazin-1-yl]pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide U3l O=C(C1=CC(C2=CC=C(N3CCN([R1])CC3)N=C2)=CC4=C1C=NN4C(C)C)NCC5=C(C)C=C(C)NC5=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCC [R1]CCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C=NN(C4=C3)C(C)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCCCCCC1=CN(CCOCCOCCOCCOCCOCC)N=N1 [R1]CCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1700/1140 1420.0 0 linker/linker_3769.sdf warhead/warhead_3748.sdf e3_ligand/e3_ligand_7.sdf 3713 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 C[C@H](CC)N1C2=C(C(C)=C1)C(C(NCC3=C(C=C(NC3=O)C)C)=O)=CC(C4=CC=C(N=C4)N5CCN(CC5)C(CCCCCCCCC(N=N6)=CN6CCOCCOCCOCCOCCNC7=CC=CC(C8=O)=C7C(N8C(C9=O)CCC(N9)=O)=O)=O)=C2 CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21 1-[(2R)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-methylindole-4-carboxamide G1a C[C@@H](N1C2=C(C(C(NCC3=C(C)C=C(C)NC3=O)=O)=CC(C4=CC=C(N5CCN([R1])CC5)N=C4)=C2)C(C)=C1)CC CCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C(=CN(C4=C3)[C@H](C)CC)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24360/4210 14285.0 0 linker/linker_3765.sdf warhead/warhead_3770.sdf e3_ligand/e3_ligand_7.sdf 3714 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 C[C@H](CC)N1C2=C(C(C)=C1)C(C(NCC3=C(C=C(NC3=O)C)C)=O)=CC(C4=CC=C(N=C4)N5CCN(CC5)C(CCCCCCCCC(N=N6)=CN6CCOCCOCCOCCOCCOCCNC7=CC=CC(C8=O)=C7C(N8C(C9=O)CCC(N9)=O)=O)=O)=C2 CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21 1-[(2R)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-methylindole-4-carboxamide G1b C[C@@H](N1C2=C(C(C(NCC3=C(C)C=C(C)NC3=O)=O)=CC(C4=CC=C(N5CCN([R1])CC5)N=C4)=C2)C(C)=C1)CC CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C(=CN(C4=C3)[C@H](C)CC)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11200/1290 6245.0 0 linker/linker_3762.sdf warhead/warhead_3770.sdf e3_ligand/e3_ligand_7.sdf 3715 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 C[C@H](CC)N1C2=C(C(C)=C1)C(C(NCC3=C(C=C(NC3=O)C)C)=O)=CC(C4=CC=C(N=C4)N5CCN(CC5)C(CCCCCCCCC(N=N6)=CN6CCOCCOCCOCCOCCOCCOCCNC7=CC=CC(C8=O)=C7C(N8C(C9=O)CCC(N9)=O)=O)=O)=C2 CC[C@@H](C)N1C=C(C)C2=C(C(=O)NCC3=C(C)C=C(C)[NH]C3=O)C=C(C3=CC=C(N4CCN(C(=O)CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)N=N5)CC4)N=C3)C=C21 1-[(2R)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-methylindole-4-carboxamide G1c C[C@@H](N1C2=C(C(C(NCC3=C(C)C=C(C)NC3=O)=O)=CC(C4=CC=C(N5CCN([R1])CC5)N=C4)=C2)C(C)=C1)CC CCOCCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C4C(=CN(C4=C3)[C@H](C)CC)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 640/420 530.0 1 linker/linker_3766.sdf warhead/warhead_3770.sdf e3_ligand/e3_ligand_7.sdf 3716 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(NCC1=C(C)C=C(C)NC1=O)C2=CC(C3=CC=C(N4CCN(C(CCCCCCCCC5=CN(CCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)N=N5)=O)CC4)N=C3)=CC(N(CC)C9CCOCC9)=C2C CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-[4-[9-[1-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide T1a CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN([R1])CC4)=CC(N(C5CCOCC5)CC)=C2C)=O CCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C(C(=C3)N(CC)C4CCOCC4)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21830/4020 12925.0 0 linker/linker_3765.sdf warhead/warhead_3773.sdf e3_ligand/e3_ligand_7.sdf 3717 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(NCC1=C(C)C=C(C)NC1=O)C2=CC(C3=CC=C(N4CCN(C(CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)N=N5)=O)CC4)N=C3)=CC(N(CC)C9CCOCC9)=C2C CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide T1b CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN([R1])CC4)=CC(N(C5CCOCC5)CC)=C2C)=O CCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C(C(=C3)N(CC)C4CCOCC4)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1090/700 895.0 1 linker/linker_3762.sdf warhead/warhead_3773.sdf e3_ligand/e3_ligand_7.sdf 3718 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(NCC1=C(C)C=C(C)NC1=O)C2=CC(C3=CC=C(N4CCN(C(CCCCCCCCC5=CN(CCOCCOCCOCCOCCOCCOCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)N=N5)=O)CC4)N=C3)=CC(N(CC)C9CCOCC9)=C2C CCN(C1=CC(C2=CC=C(N3CCN(C(=O)CCCCCCCCC4=CN(CCOCCOCCOCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)N=N4)CC3)N=C2)=CC(C(=O)NCC2=C(C)C=C(C)[NH]C2=O)=C1C)C1CCOCC1 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[6-[4-[9-[1-[2-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]nonanoyl]piperazin-1-yl]pyridin-3-yl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide T1c CC(C=C(NC1=O)C)=C1CNC(C2=CC(C3=CC=C(N=C3)N4CCN([R1])CC4)=CC(N(C5CCOCC5)CC)=C2C)=O CCOCCOCCOCCOCCOCCOCCN1C=C(N=N1)CCCCCCCCC=O O=C([R1])CCCCCCCCC(N=N1)=CN1CCOCCOCCOCCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=NC=C(C=C2)C3=CC(=C(C(=C3)N(CC)C4CCOCC4)C)C(=O)NCC5=C(C=C(NC5=O)C)C CCOCCOCCOCCOCCOCCOCCN1C=C(CCCCCCCCC=O)N=N1 [R1]C(=O)CCCCCCCCC1=CN(N=N1)CCOCCOCCOCCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1280/1070 1175.0 0 linker/linker_3766.sdf warhead/warhead_3773.sdf e3_ligand/e3_ligand_7.sdf 3719 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide 1a COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCC=O O=C([R2])CCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCC=O [R1]C(=O)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3776.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3720 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide 1a COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCC=O O=C([R2])CCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCC=O [R1]C(=O)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1350 1350.0 0 linker/linker_3776.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3721 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-5-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-5-oxopentanamide 1a COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCC=O O=C([R2])CCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCC=O [R1]C(=O)CCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 950 950.0 1 linker/linker_3776.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3722 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexanamide 1b COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCC=O O=C([R2])CCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCC=O [R1]C(=O)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3779.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3723 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexanamide 1b COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCC=O O=C([R2])CCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCC=O [R1]C(=O)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4620 4620.0 0 linker/linker_3779.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3724 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-6-oxohexanamide 1b COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCC=O O=C([R2])CCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCC=O [R1]C(=O)CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1560 1560.0 0 linker/linker_3779.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3725 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-7-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-7-oxoheptanamide 1c COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCC=O O=C([R2])CCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCC=O [R1]C(=O)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29760 29760.0 0 linker/linker_2000.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3726 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-7-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-7-oxoheptanamide 1c COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCC=O O=C([R2])CCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCC=O [R1]C(=O)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 900 900.0 1 linker/linker_2000.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3727 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-7-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-7-oxoheptanamide 1c COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCC=O O=C([R2])CCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCC=O [R1]C(=O)CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 590 590.0 1 linker/linker_2000.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3728 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-8-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanamide 1d COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCC=O O=C([R2])CCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCC=O [R1]C(=O)CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_1681.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3729 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-8-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanamide 1d COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCC=O O=C([R2])CCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCC=O [R1]C(=O)CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2550 2550.0 0 linker/linker_1681.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3730 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-8-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-8-oxooctanamide 1d COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCC=O O=C([R2])CCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCC=O [R1]C(=O)CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5020 5020.0 0 linker/linker_1681.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3731 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-9-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-9-oxononanamide 1e COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCC=O O=C([R2])CCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCC=O [R1]C(=O)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2001.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3732 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-9-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-9-oxononanamide 1e COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCC=O O=C([R2])CCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCC=O [R1]C(=O)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5310 5310.0 0 linker/linker_2001.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3733 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-9-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-9-oxononanamide 1e COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCC=O O=C([R2])CCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCC=O [R1]C(=O)CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1530 1530.0 0 linker/linker_2001.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3734 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-10-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecanamide 1f COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCC=O O=C([R2])CCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3791.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3735 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-10-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecanamide 1f COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCC=O O=C([R2])CCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 26650 26650.0 0 linker/linker_3791.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3736 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-10-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-10-oxodecanamide 1f COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCC=O O=C([R2])CCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16990 16990.0 0 linker/linker_3791.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3737 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-11-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-11-oxoundecanamide 1g COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCC=O O=C([R2])CCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2002.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3738 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-11-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-11-oxoundecanamide 1g COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCC=O O=C([R2])CCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3690 3690.0 0 linker/linker_2002.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3739 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-11-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-11-oxoundecanamide 1g COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCC=O O=C([R2])CCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2810 2810.0 0 linker/linker_2002.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3740 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide 1h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_453.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3741 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide 1h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8770 8770.0 0 linker/linker_453.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3742 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide 1h COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8550 8550.0 0 linker/linker_453.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3743 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-13-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-13-oxotridecanamide 1i COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3800.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3744 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-13-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-13-oxotridecanamide 1i COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 18090 18090.0 0 linker/linker_3800.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3745 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-13-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-13-oxotridecanamide 1i COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 17060 17060.0 0 linker/linker_3800.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3746 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-14-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-14-oxotetradecanamide 1j COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3803.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3747 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-14-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-14-oxotetradecanamide 1j COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 46480 46480.0 0 linker/linker_3803.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3748 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CCCCCCCCCCCCC(N4CCN(C5=CC=C(NC6=NC=C(C(F)(F)F)C(NC7=CC=CC(NC(C=C)=O)=C7)=N6)C(OC)=C5)CC4)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C(=O)CCCCCCCCCCCCC(=O)NC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-14-[4-[3-methoxy-4-[[4-[3-(prop-2-enoylamino)anilino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-14-oxotetradecanamide 1j COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 O=CCCCCCCCCCCCCC=O O=C([R2])CCCCCCCCCCCCC([R1])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC O=CCCCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 61980 61980.0 0 linker/linker_3803.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3749 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1k COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCNC(C)=O)=O O=C(NCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCNC(C)=O [R1]CC(=O)NCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2568.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3750 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1k COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCNC(C)=O)=O O=C(NCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCNC(C)=O [R1]CC(=O)NCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13390 13390.0 0 linker/linker_2568.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3751 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1k COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCNC(C)=O)=O O=C(NCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCNC(C)=O [R1]CC(=O)NCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8890 8890.0 0 linker/linker_2568.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3752 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1l COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCNC(C)=O)=O O=C(NCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCNC(C)=O [R1]CC(=O)NCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2569.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3753 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1l COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCNC(C)=O)=O O=C(NCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCNC(C)=O [R1]CC(=O)NCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7670 7670.0 0 linker/linker_2569.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3754 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1l COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCNC(C)=O)=O O=C(NCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCNC(C)=O [R1]CC(=O)NCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7350 7350.0 0 linker/linker_2569.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3755 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1m COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCNC(C)=O)=O O=C(NCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCNC(C)=O [R1]CC(=O)NCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2570.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3756 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1m COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCNC(C)=O)=O O=C(NCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCNC(C)=O [R1]CC(=O)NCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13190 13190.0 0 linker/linker_2570.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3757 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1m COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCNC(C)=O)=O O=C(NCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCNC(C)=O [R1]CC(=O)NCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11670 11670.0 0 linker/linker_2570.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3758 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1n COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCNC(C)=O)=O O=C(NCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCNC(C)=O [R1]CC(=O)NCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3815.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3759 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1n COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCNC(C)=O)=O O=C(NCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCNC(C)=O [R1]CC(=O)NCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14400 14400.0 0 linker/linker_3815.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3760 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1n COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCNC(C)=O)=O O=C(NCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCNC(C)=O [R1]CC(=O)NCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 12830 12830.0 0 linker/linker_3815.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3761 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1o COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCCNC(C)=O)=O O=C(NCCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2571.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3762 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1o COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCCNC(C)=O)=O O=C(NCCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6610 6610.0 0 linker/linker_2571.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3763 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1o COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCCNC(C)=O)=O O=C(NCCCCCCNC(C[R2])=O)C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCCCCCNC(C)=O [R1]CC(=O)NCCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16970 16970.0 0 linker/linker_2571.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3764 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1p COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CCOCC [R1]CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 36920 36920.0 0 linker/linker_14.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3765 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1p COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CCOCC [R1]CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 500 500.0 1 linker/linker_14.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3766 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CCOCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1p COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CCOCC [R1]CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCOCC [R1]CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 220 220.0 1 linker/linker_14.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3767 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1q COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3768 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1q COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 355.9 750 355.9 750.0 1 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3769 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1q COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 240 240.0 1 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3770 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1r COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCC)=O O=C(NCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCNC(C)=O [R1]CC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3541.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3771 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1r COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCC)=O O=C(NCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCNC(C)=O [R1]CC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2580 2580.0 0 linker/linker_3541.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3772 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1r COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCC)=O O=C(NCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCNC(C)=O [R1]CC(=O)NCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 5760 5760.0 0 linker/linker_3541.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3773 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1s COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCC)=O O=C(NCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_65.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3774 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1s COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCC)=O O=C(NCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 6740 6740.0 0 linker/linker_65.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3775 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1s COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCC)=O O=C(NCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCNC(C)=O [R1]CC(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1090 1090.0 0 linker/linker_65.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3776 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1t COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_1591.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3777 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1t COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3430 3430.0 0 linker/linker_1591.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3778 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1t COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCC)=O O=C(NCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCNC(C)=O [R1]CC(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 520 520.0 1 linker/linker_1591.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3779 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1u COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_804.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3780 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1u COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3280 3280.0 0 linker/linker_804.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3781 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCCCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1u COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCCCCC)=O O=C(NCCCCCC[R2])C[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCCCCCNC(C)=O [R1]CC(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4140 4140.0 0 linker/linker_804.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_7.sdf 3782 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC6=C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)C=C5)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1w COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCN)=O O=C(NCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCN [R1]CC(=O)NCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3839.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_616.sdf 3783 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC6=C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)C=C5)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1w COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCN)=O O=C(NCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCN [R1]CC(=O)NCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3510 3510.0 0 linker/linker_3839.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_616.sdf 3784 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC6=C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)C=C5)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1w COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCN)=O O=C(NCCN[R2])C[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCN [R1]CC(=O)NCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4720 4720.0 0 linker/linker_3839.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_616.sdf 3785 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1x COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCO)=O O=C(NCCO[R2])C[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCO [R1]CC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3842.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_16.sdf 3786 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1x COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCO)=O O=C(NCCO[R2])C[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCO [R1]CC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 7340 7340.0 0 linker/linker_3842.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_16.sdf 3787 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCOC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1x COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCCO)=O O=C(NCCO[R2])C[R1] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CC(=O)NCCO [R1]CC(=O)NCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9310 9310.0 0 linker/linker_3842.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_16.sdf 3788 P00533 Epidermal growth factor receptor EGFR ERBB HER1 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1y COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 33290 33290.0 0 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_17.sdf 3789 P00533 Epidermal growth factor receptor L858R/T790M EGFR L858R/T790M C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1y COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 4860 4860.0 0 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_17.sdf 3790 P00533 Epidermal growth factor receptor e19d EGFR e19d EGFR del19 C=CC(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(NCCNC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1)=O C=CC(=O)NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(CC(=O)NCCNC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)C=C3OC)=NC=C2C(F)(F)F)=C1 N-[3-[[2-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethylamino]-2-oxoethyl]piperazin-1-yl]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide 1y COC1=CC(N2CCN([R1])CC2)=CC=C1NC3=NC=C(C(F)(F)F)C(NC4=CC=CC(NC(C=C)=O)=C4)=N3 CC(NCC)=O O=C(NCC[R2])C[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC CCNC(C)=O [R1]CC(=O)NCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 8360 8360.0 0 linker/linker_212.sdf warhead/warhead_3776.sdf e3_ligand/e3_ligand_17.sdf 3791 P61964 WD repeat-containing protein 5 WDR5 BIG3 N1C(C(CCC1=O)N1C(C2C(=CC=CC=2NCCCCCCCC(=O)NCCN2CCN(CC2)CC2=CC=CC(=C2)C2C=C(C(=CC=2)N2CCN(C)CC2)NC(C2C(=CC(=O)NC=2)C(F)(F)F)=O)C1=O)=O)=O CN1CCN(C2=CC=C(C3=CC=CC(CN4CCN(CCNC(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)=C3)C=C2NC(=O)C2=C[NH]C(=O)C=C2C(F)(F)F)CC1 N-[5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide MS40 O=C(NC1=CC(C2=CC(CN3CCN([R1])CC3)=CC=C2)=CC=C1N4CCN(CC4)C)C5=CNC(C=C5C(F)(F)F)=O CCNC(CCCCCCC)=O O=C(CCCCCCC[R2])NCC[R1] O=C1C(CCC(N1)=O)N2C(C3=CC=CC(N[R2])=C3C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)CC2=CC(=CC=C2)C3=CC(=C(C=C3)N4CCN(CC4)C)NC(=O)C5=CNC(=O)C=C5C(F)(F)F CCCCCCCC(=O)NCC [R1]CCNC(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 42 42.0 1 linker/linker_1727.sdf warhead/warhead_2063.sdf e3_ligand/e3_ligand_7.sdf 3792 P00533 Epidermal growth factor receptor del19/T790M/C797S EGFR del19/T790M/C797S N(C1C(=CC(=CC=1)N1CCC(CC1)N1CCN(CC1)CCC#CC1C2=C(C(=O)N(C2)C2CCC(=O)NC2=O)C=CC=1)OC)C1N=CC(=C(NC2C=CC=CC=2P(C)(C)=O)N=1)Cl COC1=CC(N2CCC(N3CCN(CCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 3-[7-[4-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]but-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione HJM-561 COC1=CC(N2CCC([R1])CC2)=CC=C1NC3=NC(NC4=C(P(C)(C)=O)C=CC=C4)=C(Cl)C=N3 C#CCCN1CCNCC1 [R1]N1CCN(CCC#C[R2])CC1 O=C(N(C1CCC(NC1=O)=O)C2)C3=C2C([R2])=CC=C3 CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC C#CCCN1CCNCC1 [R1]N1CCN(CC1)CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 15.6 15.6 1 linker/linker_3849.sdf warhead/warhead_3849.sdf e3_ligand/e3_ligand_18.sdf 3793 P00533 Epidermal growth factor receptor L858R/T790M/C797S EGFR L858R/T790M/C797S N(C1C(=CC(=CC=1)N1CCC(CC1)N1CCN(CC1)CCC#CC1C2=C(C(=O)N(C2)C2CCC(=O)NC2=O)C=CC=1)OC)C1N=CC(=C(NC2C=CC=CC=2P(C)(C)=O)N=1)Cl COC1=CC(N2CCC(N3CCN(CCC#CC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)CC2)=CC=C1NC1=NC=C(Cl)C(NC2=CC=CC=C2P(C)(C)=O)=N1 3-[7-[4-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]but-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione HJM-561 COC1=CC(N2CCC([R1])CC2)=CC=C1NC3=NC(NC4=C(P(C)(C)=O)C=CC=C4)=C(Cl)C=N3 C#CCCN1CCNCC1 [R1]N1CCN(CCC#C[R2])CC1 O=C(N(C1CCC(NC1=O)=O)C2)C3=C2C([R2])=CC=C3 CRBN Q96SW2 [R1]C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC C#CCCN1CCNCC1 [R1]N1CCN(CC1)CCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 17 17.0 1 linker/linker_3849.sdf warhead/warhead_3849.sdf e3_ligand/e3_ligand_18.sdf 3794 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCOCCOCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[2-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B1 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 O=C(C)NCCOCCOCC O=C(C[R2])NCCOCCOCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCOCCOCCNC(C)=O [R1]CCOCCOCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 90.9/27.5 59.2 0 linker/linker_337.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3795 Q05397 Focal adhesion kinase FAK PTK2 FAK1 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN(CC4)CCCCCCCCNC(CNC5=CC=CC(C6=O)=C5C(N6C(C7=O)CCC(N7)=O)=O)=O CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCNC(=O)CNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[8-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]octyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B2 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 O=C(C)NCCCCCCCC O=C(C[R2])NCCCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCCNC(C)=O [R1]CCCCCCCCNC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2250 93.1/75.3 84.19999999999999 2250.0 1 linker/linker_1221.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3796 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCOCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCOCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[3-[3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-3-oxopropoxy]propyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B3 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCOCCC(NCC)=O O=C(NCC[R2])CCOCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCOCCC(=O)NCC [R1]CCCOCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 92.3/44.9 68.6 0 linker/linker_3853.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3797 Q05397 Focal adhesion kinase FAK PTK2 FAK1 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN(CC4)CCOCCOCCOCCNC5=CC=CC(C6=O)=C5C(N6C(C7=O)CCC(N7)=O)=O CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCOCCOCCOCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B4 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCOCCOCCOCC [R1]CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 24.7/8.52 16.61 0 linker/linker_15.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3798 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B5 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCC=O O=C([R2])CCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 140 92.4/86.4 89.4 140.0 1 linker/linker_443.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3799 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B6 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCC=O O=C([R2])CCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCC=O [R1]CCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 260 94.6/67.5 81.05 260.0 1 linker/linker_255.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3800 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-oxoheptyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B7 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCC=O O=C([R2])CCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCC=O [R1]CCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 790 90/60.8 75.4 790.0 1 linker/linker_256.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3801 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B8 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCCC=O O=C([R2])CCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCC=O [R1]CCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 92.2/23.5 57.85 0 linker/linker_257.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3802 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-9-oxononyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B9 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCCCC=O O=C([R2])CCCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCCC=O [R1]CCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1350 93.9/76.9 85.4 1350.0 1 linker/linker_419.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3803 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B10 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCCCCC=O O=C([R2])CCCCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCCCC=O [R1]CCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3580 91.7/73.5 82.6 3580.0 1 linker/linker_258.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3804 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[5-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B11 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCC(NCC)=O O=C(NCC[R2])CCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCC(=O)NCC [R1]CCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 4010 94.1/74.6 84.35 4010.0 1 linker/linker_1004.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3805 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-6-oxohexyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B12 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCC(NCC)=O O=C(NCC[R2])CCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCC(=O)NCC [R1]CCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 310 94.4/85.5 89.95 310.0 1 linker/linker_1725.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3806 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-7-oxoheptyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B13 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCC(NCC)=O O=C(NCC[R2])CCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCC(=O)NCC [R1]CCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 67.5/0.2 33.85 0 linker/linker_1005.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3807 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[8-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-8-oxooctyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B14 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCC(=O)NCC [R1]CCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 330 93.6/62.7 78.15 330.0 1 linker/linker_1727.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3808 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCCCCCCC(NCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCCCCCCC(=O)NCCNC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[10-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-10-oxodecyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B15 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCCCCCCC(NCC)=O O=C(NCC[R2])CCCCCCCCC[R1] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCCCCCCC(=O)NCC [R1]CCCCCCCCCC(=O)NCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 93/46.1 69.55 0 linker/linker_1007.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3809 Q05397 Focal adhesion kinase FAK PTK2 FAK1 S=C(N1CCN(C2=CC=C(NC3=NC=C(Cl)C(NC4=CC=CC=C4C(NC)=O)=N3)C(OC)=C2)CC1)SCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=S)SCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl [8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctyl] 4-[4-[[5-chloro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazine-1-carbodithioate B16 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 S=CSCCCCCCCC=O S=C([R1])SCCCCCCCC([R2])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC O=CCCCCCCCSC=S [R1]C(=S)SCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35.9/19.8 27.85 0 linker/linker_3866.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3810 Q05397 Focal adhesion kinase FAK PTK2 FAK1 S=C(N1CCN(C2=CC=C(NC3=NC=C(Cl)C(NC4=CC=CC=C4C(NC)=O)=N3)C(OC)=C2)CC1)SCCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(C(=S)SCCCCCCCCCC(=O)NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl [10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl] 4-[4-[[5-chloro-4-[2-(methylcarbamoyl)anilino]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazine-1-carbodithioate B17 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 S=CSCCCCCCCCCC=O S=C([R1])SCCCCCCCCCC([R2])=O O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC O=CCCCCCCCCCSC=S [R1]C(=S)SCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 63.3/2.1 32.7 0 linker/linker_3867.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_7.sdf 3811 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCC(NC5=CC6=C(C(N(C(CC7)C(NC7=O)=O)C6=O)=O)C=C5)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B18 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCC(N)=O O=C(N[R2])CCCC[R1] O=C(C1=C2C=CC([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCC(N)=O [R1]CCCCC(=O)N[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3420 83.4/46.2 64.80000000000001 3420.0 0 linker/linker_1831.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_616.sdf 3812 Q05397 Focal adhesion kinase FAK PTK2 FAK1 O=C(NC)C1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCN(CCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)CC4)C=C3OC)=NC=C2Cl CNC(=O)C1=CC=CC=C1NC1=NC(NC2=CC=C(N3CCN(CCCCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)CC3)C=C2OC)=NC=C1Cl 2-[[5-chloro-2-[4-[4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]piperazin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzamide B19 ClC(C(NC1=CC=CC=C1C(NC)=O)=N2)=CN=C2NC3=CC=C(C=C3OC)N4CCN([R1])CC4 CCCCC=O O=C([R2])CCCC[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)NC)Cl)OC CCCCC=O [R1]CCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 270 87.2/69.9 78.55000000000001 270.0 1 linker/linker_443.sdf warhead/warhead_3851.sdf e3_ligand/e3_ligand_17.sdf 3813 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCN4N=C5NC6=C(C=CC=C6)N=C5C4=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCN4N=C5[NH]C6=CC=CC=C6N=C5C4=O)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[2-[2-(3-oxo-9H-pyrazolo[3,4-b]quinoxalin-2-yl)ethoxy]ethoxy]acetamide 15 O=C1N([R1])N=C2NC3=C(C=CC=C3)N=C21 O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1C(=O)C2=NC3=CC=CC=C3NC2=N1 CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 43.4 7870/3890/6190 43.4 5983.333333333333 1 linker/linker_250.sdf warhead/warhead_3870.sdf e3_ligand/e3_ligand_7.sdf 3814 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCNNC(C4=NC5=C(C=CC=C5)N(C)C4=O)=O CN1C(=O)C(C(=O)NNCCOCCOCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)=NC2=CC=CC=C21 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[2-[2-[2-(4-methyl-3-oxoquinoxaline-2-carbonyl)hydrazinyl]ethoxy]ethoxy]acetamide 16 O=C(NN[R1])C1=NC2=C(C=CC=C2)N(C)C1=O O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NNC(=O)C1=NC2=CC=CC=C2N(C1=O)C CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 32.9 3920/3020/3320 32.9 3420.0 1 linker/linker_250.sdf warhead/warhead_3871.sdf e3_ligand/e3_ligand_7.sdf 3815 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(C1=NC2=C(C=CC=C2)NC1=O)NCCOCCOCCOCC(NC3=CC=CC(C(N4C(CC5)C(NC5=O)=O)=O)=C3C4=O)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCOCCNC(=O)C4=NC5=CC=CC=C5[NH]C4=O)=C3C2=O)C(=O)N1 N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]-3-oxo-4H-quinoxaline-2-carboxamide 17 O=C(C1=NC2=C(C=CC=C2)NC1=O)NCCO[R1] CCOCCOCC=O O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OCCNC(=O)C1=NC2=CC=CC=C2NC1=O CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7960/4090/6290 6113.333333333333 0 linker/linker_250.sdf warhead/warhead_3872.sdf e3_ligand/e3_ligand_7.sdf 3816 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCNNC(C4=CC=C(/N=C5C(NC6=C\5C=CC=C6)=O)C=C4)=O O=C1CCC(N2C(=O)C3=CC=CC(NC(=O)COCCOCCNNC(=O)C4=CC=C(/N=C5\C(=O)NC6=CC=CC=C56)C=C4)=C3C2=O)C(=O)N1 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[2-[2-[2-[4-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]benzoyl]hydrazinyl]ethoxy]ethoxy]acetamide 18 O=C(NN[R1])C1=CC=C(/N=C2C(NC3=C\2C=CC=C3)=O)C=C1 O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NNC(=O)C1=CC=C(C=C1)/N=C\2/C3=CC=CC=C3NC2=O CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 8260/6260/6790 7103.333333333333 0 linker/linker_250.sdf warhead/warhead_3873.sdf e3_ligand/e3_ligand_7.sdf 3817 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCNNC(C4=CC=C(/N=C5C(N(C)C6=C\5C=CC=C6)=O)C=C4)=O CN1C(=O)/C(=N\C2=CC=C(C(=O)NNCCOCCOCC(=O)NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)C=C2)C2=CC=CC=C21 N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-2-[2-[2-[2-[4-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]benzoyl]hydrazinyl]ethoxy]ethoxy]acetamide 19 CN(C1=C/2C=CC=C1)C(C2=N/C(C=C3)=CC=C3C(NN[R1])=O)=O O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NNC(=O)C1=CC=C(C=C1)/N=C\2/C3=CC=CC=C3N(C2=O)C CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16260/8260/9120 11213.333333333334 0 linker/linker_250.sdf warhead/warhead_3874.sdf e3_ligand/e3_ligand_7.sdf 3818 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCNNC(CSC4=NC5=CC=CC=C5O4)=O O=C(CSC1=NC2=CC=CC=C2O1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinyl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 20 [R1]NNC(CSC1=NC2=CC=CC=C2O1)=O O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NNC(=O)CSC1=NC2=CC=CC=C2O1 CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 14260/9260/12260 11926.666666666666 0 linker/linker_250.sdf warhead/warhead_3875.sdf e3_ligand/e3_ligand_7.sdf 3819 P00533 Epidermal growth factor receptor EGFR ERBB HER1 O=C(NC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)COCCOCCNNC(CSC4=NC5=CC=CC=C5S4)=O O=C(CSC1=NC2=CC=CC=C2S1)NNCCOCCOCC(=O)NC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O 2-[2-[2-[2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinyl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide 21 O=C(NN[R1])CSC1=NC2=CC=CC=C2S1 O=CCOCCOCC O=C([R2])COCCOCC[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]NNC(=O)CSC1=NC2=CC=CC=C2S1 CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16260/9860/12960 13026.666666666666 0 linker/linker_250.sdf warhead/warhead_3876.sdf e3_ligand/e3_ligand_7.sdf 3820 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(/C=C/C(NCCCCNC1=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=CC=C1)=O)NC4=CC=C(NC(C5=CC=C([N+]([O-])=O)O5)=O)C=C4 O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O (E)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butyl]-N'-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]but-2-enediamide SP21 [O-][N+](C(O1)=CC=C1C(NC2=CC=C([R1])C=C2)=O)=O O=C(N)/C=C/C(NCCCC)=O O=C(N[R1])/C=C/C(NCCCC[R2])=O O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3N[R2])=O)NC1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] CCCCNC(=O)/C=C/C(N)=O [R1]NC(=O)/C=C/C(=O)NCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_3877.sdf warhead/warhead_3877.sdf e3_ligand/e3_ligand_7.sdf 3821 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(/C=C/C(NCCCCCNC1=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=CC=C1)=O)NC4=CC=C(NC(C5=CC=C([N+]([O-])=O)O5)=O)C=C4 O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O (E)-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentyl]-N'-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]but-2-enediamide SP22 [O-][N+](C(O1)=CC=C1C(NC2=CC=C([R1])C=C2)=O)=O O=C(N)/C=C/C(NCCCCC)=O O=C(N[R1])/C=C/C(NCCCCC[R2])=O O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3N[R2])=O)NC1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] CCCCCNC(=O)/C=C/C(N)=O [R1]NC(=O)/C=C/C(=O)NCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9200 9200.0 0 linker/linker_3878.sdf warhead/warhead_3877.sdf e3_ligand/e3_ligand_7.sdf 3822 Q86WV6 Stimulator of interferon genes protein STING ERIS  MITA O=C(/C=C/C(NCCCCCCNC1=C(C(N(C2CCC(NC2=O)=O)C3=O)=O)C3=CC=C1)=O)NC4=CC=C(NC(C5=CC=C([N+]([O-])=O)O5)=O)C=C4 O=C(/C=C/C(=O)NC1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])O2)C=C1)NCCCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O (E)-N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-N'-[4-[(5-nitrofuran-2-carbonyl)amino]phenyl]but-2-enediamide SP23 [O-][N+](C(O1)=CC=C1C(NC2=CC=C([R1])C=C2)=O)=O O=C(N)/C=C/C(NCCCCCC)=O O=C(N[R1])/C=C/C(NCCCCCC[R2])=O O=C(C(CC1)N(C2=O)C(C(C2=CC=C3)=C3N[R2])=O)NC1=O CRBN Q96SW2 [R1]C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-] CCCCCCNC(=O)/C=C/C(N)=O [R1]NC(=O)/C=C/C(=O)NCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 3200 3200.0 0 linker/linker_3879.sdf warhead/warhead_3877.sdf e3_ligand/e3_ligand_7.sdf 3823 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A1 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCNC(CN1CCNCC1)=O O=C(NCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1690/3303/13390 6127.666666666667 0 linker/linker_3880.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3824 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[3-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]propyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A2 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCNC(CN1CCNCC1)=O O=C(NCCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 2700/3372/>20000 8690.666666666666 0 linker/linker_3881.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3825 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[4-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]butyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A3 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCNC(CN1CCNCC1)=O O=C(NCCCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1840/2690/9100 4543.333333333333 0 linker/linker_3882.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3826 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[6-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]hexyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A4 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCCCNC(CN1CCNCC1)=O O=C(NCCCCCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1960/4360/11250 5856.666666666667 0 linker/linker_3883.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3827 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A5 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCOCCNC(CN1CCNCC1)=O)=O O=C(NCCOCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 2890/5280/>20000 9390.0 0 linker/linker_3884.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3828 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A6 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCOCCOCCNC(CN1CCNCC1)=O)=O O=C(NCCOCCOCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 3460/7630/>20000 10363.333333333334 0 linker/linker_3885.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3829 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCOCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A7 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCOCCOCCOCCNC(CN1CCNCC1)=O)=O O=C(NCCOCCOCCOCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCOCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1740/3490/>20000 8410.0 0 linker/linker_3886.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3830 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCOCCOCCNC(CN1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCOCCOCCOCCNC(=O)CN1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 N-[2-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]acetamide A8 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCOCCOCCOCCOCCNC(CN1CCNCC1)=O)=O O=C(NCCOCCOCCOCCOCCNC(CN1CCN([R1])CC1)=O)C[R2] O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCOCCOCCNC(=O)CN1CCNCC1 [R1]N1CCN(CC1)CC(=O)NCCOCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 5020/7040/>20000 10686.666666666666 0 linker/linker_3887.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3831 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B1 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1480/3160/6180 3606.6666666666665 0 linker/linker_3888.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3832 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[3-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]propyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B2 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1190/1870/5900 2986.6666666666665 0 linker/linker_3889.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3833 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[4-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]butyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B3 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 820/1960/7450 3410.0 0 linker/linker_3890.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3834 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[5-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]pentyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B4 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCCCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 290/890/1220 800.0 1 linker/linker_3891.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3835 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[6-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]hexyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B5 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCCCCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 350/990/3910 1750.0 0 linker/linker_3892.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3836 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCCCCCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[7-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]heptyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B6 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCCCCCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCCCCCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 660/1690/5700 2683.333333333333 0 linker/linker_3893.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3837 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B7 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCOCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCOCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1480/2830/6010 3440.0 0 linker/linker_3894.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3838 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B8 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCOCCOCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCOCCOCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1190/1280/9740 4070.0 0 linker/linker_3895.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3839 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCOCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B9 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCOCCOCCOCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCOCCOCCOCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCOCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 1750/1600/6370 3240.0 0 linker/linker_3896.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3840 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCOCCOCCOCCNC(COC1=CC2=C(N(C(CCl)=O)CCC2)C=C1)=O)CCC(N3CCN(C(C4=CC(CC5=NNC(C6=C5C=CC=C6)=O)=CC=C4F)=O)CC3)=O O=C(CCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1)NCCOCCOCCOCCOCCNC(=O)COC1=CC=C2C(=C1)CCCN2C(=O)CCl N-[2-[2-[2-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutanamide B10 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(C)NCCOCCOCCOCCOCCNC(CCC(N1CCNCC1)=O)=O O=C(C[R2])NCCOCCOCCOCCOCCNC(CCC(N1CCN([R1])CC1)=O)=O O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCOCCOCCOCCNC(=O)CCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCC(=O)NCCOCCOCCOCCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 780/1950/7430 3386.6666666666665 0 linker/linker_3897.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3841 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCOCCN1N=NC(CCCCC(N2CCN(C(C3=CC(CC4=NNC(C5=C4C=CC=C5)=O)=CC=C3F)=O)CC2)=O)=C1)COC6=CC7=C(N(C(CCl)=O)CCC7)C=C6 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCOCCN1C=C(CCCCC(=O)N2CCN(C(=O)C3=CC(CC4=N[NH]C(=O)C5=CC=CC=C45)=CC=C3F)CC2)N=N1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[2-[2-[4-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentyl]triazol-1-yl]ethoxy]ethyl]acetamide CK1 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(CCCCC(N=N1)=CN1CCOCCNC(C)=O)N2CCNCC2 O=C(CCCCC(N=N1)=CN1CCOCCNC(C[R2])=O)N2CCN([R1])CC2 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCOCCN1C=C(CCCCC(=O)N2CCNCC2)N=N1 [R1]N1CCN(CC1)C(=O)CCCCC2=CN(N=N2)CCOCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 630/2230/8170 3676.6666666666665 0 linker/linker_3898.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3842 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-2-oxoethyl]acetamide C1 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F O=C(CNC(C)=O)N1CCNCC1 O=C(CNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 55/610/5850 2171.6666666666665 0 linker/linker_3899.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3843 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[3-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-3-oxopropyl]acetamide C2 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCC(N1CCNCC1)=O)=O O=C(CCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 660/900/>20000 7186.666666666667 0 linker/linker_3900.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3844 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[4-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-4-oxobutyl]acetamide C3 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCC(N1CCNCC1)=O)=O O=C(CCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 490/840/>20000 7110.0 0 linker/linker_3901.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3845 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-5-oxopentyl]acetamide C4 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCC(N1CCNCC1)=O)=O O=C(CCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 570/790/7240 2866.6666666666665 0 linker/linker_3902.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3846 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[6-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-6-oxohexyl]acetamide C5 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCCC(N1CCNCC1)=O)=O O=C(CCCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 240/390/4680 1770.0 0 linker/linker_3903.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3847 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[7-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-7-oxoheptyl]acetamide C6 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCCCC(N1CCNCC1)=O)=O O=C(CCCCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 110/120/2110 780.0 1 linker/linker_3904.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3848 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[8-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-8-oxooctyl]acetamide C7 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCCCCC(N1CCNCC1)=O)=O O=C(CCCCCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 77/150/1700 642.3333333333334 1 linker/linker_3905.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3849 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[9-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-9-oxononyl]acetamide C8 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCCCCCC(N1CCNCC1)=O)=O O=C(CCCCCCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 2000 26/61/690 2000.0 259.0 0 linker/linker_3906.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3850 Q9UGN5 Poly [ADP-ribose] polymerase 2 PARP2 ADPRTL2 ARTD2 O=C(NCCCCCCCCCC(N1CCN(C(C2=CC(CC3=NNC(C4=C3C=CC=C4)=O)=CC=C2F)=O)CC1)=O)COC5=CC6=C(N(C(CCl)=O)CCC6)C=C5 O=C(COC1=CC=C2C(=C1)CCCN2C(=O)CCl)NCCCCCCCCCC(=O)N1CCN(C(=O)C2=CC(CC3=N[NH]C(=O)C4=CC=CC=C34)=CC=C2F)CC1 2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]-N-[10-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]-10-oxodecyl]acetamide C9 O=C([R1])C1=CC(CC2=NNC(C3=C2C=CC=C3)=O)=CC=C1F CC(NCCCCCCCCCC(N1CCNCC1)=O)=O O=C(CCCCCCCCCNC(C[R2])=O)N1CCN([R1])CC1 O=C(N1CCCC2=C1C=CC(O[R2])=C2)CCl DCAF16 Q9NXF7 [R1]C(=O)C1=C(C=CC(=C1)CC2=NNC(=O)C3=CC=CC=C32)F CC(=O)NCCCCCCCCCC(=O)N1CCNCC1 [R1]N1CCN(CC1)C(=O)CCCCCCCCCNC(=O)C[R2] [R2]OC1=CC2=C(C=C1)N(CCC2)C(=O)CCl 25/68/720 271.0 1 linker/linker_3907.sdf warhead/warhead_1215.sdf e3_ligand/e3_ligand_677.sdf 3851 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(COC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN1 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 C [R1]C[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F C [R1]C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1472/496/>10000 3989.3333333333335 0 linker/linker_1800.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3852 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[3-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN2 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CC [R1]CC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CC [R1]CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 798/187/>10000 3661.6666666666665 0 linker/linker_9.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3853 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[4-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN3 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCC [R1]CCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 425/199/>10000 3541.333333333333 0 linker/linker_10.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3854 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[5-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN4 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCC [R1]CCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 104/76 310/78/>10000 90.0 3462.6666666666665 1 linker/linker_7.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3855 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[6-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN5 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCCC [R1]CCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 615/279/>10000 3631.3333333333335 0 linker/linker_2.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3856 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(CCCCCCCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[9-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN6 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCCCCCC [R1]CCCCCCCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 690/636/>10000 3775.3333333333335 0 linker/linker_33.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3857 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@H](C(C)(C)C)NC(COCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2R)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN7 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 COCC [R1]CCOC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCOC [R1]CCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 330/125/>10000 3485.0 0 linker/linker_197.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3858 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(COCCOCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCOCCOCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN8 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 COCCOCC [R1]CCOCCOC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCOCCOC [R1]CCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 436/416/>10000 3617.3333333333335 0 linker/linker_243.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3859 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCOCCOCCOC2=CC=CC(F)=C2C3=C(F)C=C(C(N4[C@@H](C)CN(C(C=C)=O)CC4)=N5)C(N(C6=C(C)C=CN=C6C(C)C)C5=O)=N3)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC7=CC=C(C8=C(C)N=CS8)C=C7 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCOCCOCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[3-[2-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN9 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCOCCOCC [R1]CCOCCOCC[R2] O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCOCCOCC [R1]CCOCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1307/564/>10000 3957.0 0 linker/linker_1.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3860 P01116 GTPase Kras G12C KRAS G12C O=C(C=C)N(C[C@@H]1C)CCN1C(C2=CC(F)=C(N=C2N3C4=C(C=CN=C4C(C)C)C)C5=C(C=CC=C5OCCOCC(NC6=CC=CC(C7=O)=C6CN7C(C8=O)CCC(N8)=O)=O)F)=NC3=O C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C(F)C=C23)[C@@H](C)C1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethoxy]acetamide YN10 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCOCC=O O=C([R2])COCC[R1] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3N[R2])C2=O CRBN Q96SW2 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCOCC=O [R1]CCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 631/434/>10000 3688.3333333333335 0 linker/linker_3917.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_17.sdf 3861 P01116 GTPase Kras G12C KRAS G12C O=C(NC1=CC=CC2=C1CN(C(CC3)C(NC3=O)=O)C2=O)COCCOCCOC4=CC=CC(F)=C4C5=C(F)C=C(C(N6[C@@H](C)CN(C(C=C)=O)CC6)=N7)C(N(C8=C(C)C=CN=C8C(C)C)C7=O)=N5 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCOCCOCC(=O)NC4=CC=CC5=C4CN(C4CCC(=O)NC4=O)C5=O)=C(F)C=C23)[C@@H](C)C1 N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[2-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethoxy]ethoxy]acetamide YN11 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCOCCOCC=O O=C([R2])COCCOCC[R1] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3N[R2])C2=O CRBN Q96SW2 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCOCCOCC=O [R1]CCOCCOCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 765/690/>10000 3818.3333333333335 0 linker/linker_250.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_17.sdf 3862 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCN2CCN(CCOC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCN4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[4-[4-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethyl]piperazin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN12 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCN1CCN(CC)CC1 [R1]CCN1CCN(CCC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCN1CCN(CC)CC1 [R1]CCN1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 233/337/>10000 3523.333333333333 0 linker/linker_2334.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3863 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCN2CCN(CCOC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCCN4CCN(CCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[3-[4-[2-[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]ethyl]piperazin-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN13 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCN1CCN(CC)CC1 [R1]CCN1CCN(CC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCN1CCN(CC)CC1 [R1]CCN1CCN(CC1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 253/172/>10000 3475.0 0 linker/linker_3920.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3864 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCN2CCC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)CC2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4CCN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)CC4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[4-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]piperidin-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN14 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCN1CCC(C)CC1 [R1]CC1CCN(CCC[R2])CC1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCN1CCC(C)CC1 [R1]CC1CCN(CC1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 67/28 91/45/>10000 47.5 3378.6666666666665 1 linker/linker_1617.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3865 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CN2N=NC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4=CN(CC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[[2-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]triazol-1-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN15 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CN1N=NC(C)=C1 [R1]CC1=CN(C[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CC1=CN(C)N=N1 [R1]CC1=CN(N=N1)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 562/529/>10000 3697.0 0 linker/linker_3922.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3866 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCN2N=NC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4=CN(CCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[3-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]triazol-1-yl]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN16 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCN1N=NC(C)=C1 [R1]CC1=CN(CC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 222/200/>10000 3474.0 0 linker/linker_3923.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3867 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCN2N=NC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4=CN(CCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[4-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]triazol-1-yl]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN17 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCN1N=NC(C)=C1 [R1]CC1=CN(CCC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 368/491/>10000 3619.6666666666665 0 linker/linker_3230.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3868 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCCN2N=NC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4=CN(CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[5-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]triazol-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN18 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCCN1N=NC(C)=C1 [R1]CC1=CN(CCCC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 463/660/>10000 3707.6666666666665 0 linker/linker_1444.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3869 P01116 GTPase Kras G12C KRAS G12C O=C([C@H]1N(C([C@@H](NC(CCCCCN2N=NC(COC3=CC=CC(F)=C3C4=C(F)C=C(C(N5[C@@H](C)CN(C(C=C)=O)CC5)=N6)C(N(C7=C(C)C=CN=C7C(C)C)C6=O)=N4)=C2)=O)C(C)(C)C)=O)C[C@H](O)C1)NCC8=CC=C(C9=C(C)N=CS9)C=C8 C=CC(=O)N1CCN(C2=NC(=O)N(C3=C(C)C=CN=C3C(C)C)C3=NC(C4=C(F)C=CC=C4OCC4=CN(CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCC5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)N=N4)=C(F)C=C23)[C@@H](C)C1 (2S,4R)-1-[(2S)-2-[6-[4-[[3-fluoro-2-[6-fluoro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-7-yl]phenoxy]methyl]triazol-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide YN19 FC1=C(C2=C(F)C=C(C(N3[C@@H](C)CN(C(C=C)=O)CC3)=N4)C(N(C5=C(C)C=CN=C5C(C)C)C4=O)=N2)C(O[R1])=CC=C1 CCCCCN1N=NC(C)=C1 [R1]CC1=CN(CCCCC[R2])N=N1 O=C([C@H]1N(C([C@@H](NC([R2])=O)C(C)(C)C)=O)C[C@H](O)C1)NCC2=CC=C(C3=C(C)N=CS3)C=C2 VHL P40337 [R1]OC1=C(C(=CC=C1)F)C2=C(C=C3C(=N2)N(C(=O)N=C3N4CCN(C[C@@H]4C)C(=O)C=C)C5=C(C=CN=C5C(C)C)C)F CCCCCN1C=C(C)N=N1 [R1]CC1=CN(N=N1)CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 289/481/>10000 3590.0 0 linker/linker_343.sdf warhead/warhead_3908.sdf e3_ligand/e3_ligand_27.sdf 3870 P50395 Rab GDP dissociation inhibitor beta GDI2 RABGDIB [H][C@]1(C(C=C2OCC3=CC(C)=CC(C)=C3)=C(CCN41)C=C2OCC5=CC(C)=CC(C)=C5)C[C@@](O)(C[C@@H]4C)CC(N=N6)=CN6CCOCCOCCOCCNC([C@@H](CC(C)C)NC([C@H]([C@@H](CC7=CC=CC=C7)N)O)=O)=O CC1=CC(C)=CC(COC2=CC3=C(C=C2OCC2=CC(C)=CC(C)=C2)[C@H]2C[C@](O)(CC4=CN(CCOCCOCCOCCNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](O)[C@H](N)CC5=CC=CC=C5)N=N4)C[C@H](C)N2CC3)=C1 (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-N-[2-[2-[2-[2-[4-[[(2S,4S,11bR)-9,10-bis[(3,5-dimethylphenyl)methoxy]-2-hydroxy-4-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide 21 [H][C@]1(C(C=C2OCC3=CC(C)=CC(C)=C3)=C(CCN41)C=C2OCC5=CC(C)=CC(C)=C5)C[C@@](C[C@@H]4C)([R1])O CC(N=N1)=CN1CCOCCOCCOCCN [R1]CC(N=N1)=CN1CCOCCOCCOCCN[R2] N[C@@H]([C@@H](C(N[C@@H](C([R2])=O)CC(C)C)=O)O)CC1=CC=CC=C1 cIAP1 Q13490 [R1][C@@]1(C[C@@H](N2CCC3=CC(=C(C=C3[C@H]2C1)OCC4=CC(=CC(=C4)C)C)OCC5=CC(=CC(=C5)C)C)C)O CC1=CN(CCOCCOCCOCCN)N=N1 [R1]CC1=CN(N=N1)CCOCCOCCOCCN[R2] [R2]C(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](CC1=CC=CC=C1)N)O 1480 1480.0 0 linker/linker_3927.sdf warhead/warhead_3927.sdf e3_ligand/e3_ligand_3882.sdf 3871 P14625 94 kDa glucose-regulated protein (GRP-94) GRP94 HSP90B1 HSPC4 OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C(OCCCOC(CNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)=O)C2=CC1=O CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]oxypropyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate 6a OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C([R1])=O)C2=CC1=O OCCCOC(C)=O O=C(C[R2])OCCCO[R1] O=C(NC1=O)CCC1N(C2=O)C(C3=C2C=CC=C3N[R2])=O CRBN Q96SW2 [R1]C(=O)[C@@]1(CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C CC(=O)OCCCO [R1]OCCCOC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 980 980.0 1 linker/linker_3928.sdf warhead/warhead_2188.sdf e3_ligand/e3_ligand_7.sdf 3872 P06493 Cyclin-dependent kinase 1 CDK1 CDC2 CDKN1 OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C(OCCCOC(CNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)=O)C2=CC1=O CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]oxypropyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate 6a OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C([R1])=O)C2=CC1=O OCCCOC(C)=O O=C(C[R2])OCCCO[R1] O=C(NC1=O)CCC1N(C2=O)C(C3=C2C=CC=C3N[R2])=O CRBN Q96SW2 [R1]C(=O)[C@@]1(CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C CC(=O)OCCCO [R1]OCCCOC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 790 790.0 1 linker/linker_3928.sdf warhead/warhead_2188.sdf e3_ligand/e3_ligand_7.sdf 3873 P11802 Cyclin-dependent kinase 4 CDK4 PSK-J3 OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C(OCCCOC(CNC6=CC=CC7=C6C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)=O)C2=CC1=O CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)C[C@H]4[C@]3(C)CC[C@@]21C 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]oxypropyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate 6a OC1=C(C)C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@]5([H])C[C@](CC[C@]5(C)CC[C@@]43C)(C)C([R1])=O)C2=CC1=O OCCCOC(C)=O O=C(C[R2])OCCCO[R1] O=C(NC1=O)CCC1N(C2=O)C(C3=C2C=CC=C3N[R2])=O CRBN Q96SW2 [R1]C(=O)[C@@]1(CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C CC(=O)OCCCO [R1]OCCCOC(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 730 730.0 1 linker/linker_3928.sdf warhead/warhead_2188.sdf e3_ligand/e3_ligand_7.sdf 3874 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC(CC1)C(NC1=O)=O)C2=CC=C(N3CCC(CNC(C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C6=C(SC(C)=C6C)N7C(C)=NN=C47)=O)CC3)C=C2F CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCC1CCN(C3=CC=C(C(=O)NC4CCC(=O)NC4=O)C(F)=C3)CC1)N=C2C1=CC=C(Cl)C=C1 4-[4-[[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzamide 43h ClC(C=C1)=CC=C1C(C2=C(N3C(C)=NN=C43)SC(C)=C2C)=N[C@H]4CC([R1])=O NCC1CCNCC1 [R1]NCC1CCN([R2])CC1 O=C(C1=CC=C([R2])C=C1F)NC(C(N2)=O)CCC2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1CCNCC1 [R1]NCC1CCN(CC1)[R2] [R2]C1=CC(=C(C=C1)C(=O)NC2CCC(=O)NC2=O)F 4.7 4.7 1 linker/linker_3931.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_3886.sdf 3875 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC(CC1)C(NC1=O)=O)C2=CC=C(N3CCC(CNC(C[C@@H]4N=C(C5=CC=C(Cl)C=C5)C6=C(SC(C)=C6C)N7C(C)=NN=C47)=O)CC3)C=C2OC COC1=CC(N2CCC(CNC(=O)C[C@@H]3N=C(C4=CC=C(Cl)C=C4)C4=C(SC(C)=C4C)N4C(C)=NN=C34)CC2)=CC=C1C(=O)NC1CCC(=O)NC1=O 4-[4-[[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-methoxybenzamide 44h ClC(C=C1)=CC=C1C(C2=C(N3C(C)=NN=C43)SC(C)=C2C)=N[C@H]4CC([R1])=O NCC1CCNCC1 [R1]NCC1CCN([R2])CC1 O=C(C1=CC=C([R2])C=C1OC)NC(C(N2)=O)CCC2=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCC1CCNCC1 [R1]NCC1CCN(CC1)[R2] [R2]C1=CC(=C(C=C1)C(=O)NC2CCC(=O)NC2=O)OC 0.59 0.59 1 linker/linker_3931.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_3887.sdf 3876 Q9GZR2 RNA exonuclease 4 REXO4 PMC2 XPMC2H O=C(NCCCOC1=CC(C2=C(C(N3CC2)N(C)C4=C(C=C(F)C=C4)C3=O)N5)=C5C=C1)CCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[3-[(17-fluoro-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-7-yl)oxy]propyl]hex-5-ynamide 13a CN(C1=C(C2=O)C=C(C=C1)F)C(N2CC3)C4=C3C(C=C5O[R1])=C(C=C5)N4 O=C(CCCC#C)NCCC O=C(CCCC#C[R2])NCCC[R1] O=C1NC(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])=O CRBN Q96SW2 [R1]OC1=CC2=C(C=C1)NC3=C2CCN4C3N(C5=C(C4=O)C=C(C=C5)F)C C#CCCCC(=O)NCCC [R1]CCCNC(=O)CCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 8700/>10000/>10000 9566.666666666666 0 linker/linker_3933.sdf warhead/warhead_3933.sdf e3_ligand/e3_ligand_18.sdf 3877 Q9GZR2 RNA exonuclease 4 REXO4 PMC2 XPMC2H O=C(NCCCOC1=CC(C2=C(C(N3CC2)N(C)C4=C(C=C(F)C=C4)C3=O)N5)=C5C=C1)CCCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21 7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[3-[(17-fluoro-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-7-yl)oxy]propyl]hept-6-ynamide 13b CN(C1=C(C2=O)C=C(C=C1)F)C(N2CC3)C4=C3C(C=C5O[R1])=C(C=C5)N4 O=C(CCCCC#C)NCCC O=C(CCCCC#C[R2])NCCC[R1] O=C1NC(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])=O CRBN Q96SW2 [R1]OC1=CC2=C(C=C1)NC3=C2CCN4C3N(C5=C(C4=O)C=C(C=C5)F)C C#CCCCCC(=O)NCCC [R1]CCCNC(=O)CCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 4800/2900/3200 3633.3333333333335 0 linker/linker_3934.sdf warhead/warhead_3933.sdf e3_ligand/e3_ligand_18.sdf 3878 Q9GZR2 RNA exonuclease 4 REXO4 PMC2 XPMC2H O=C(NCCCOC1=CC(C2=C(C(N3CC2)N(C)C4=C(C=C(F)C=C4)C3=O)N5)=C5C=C1)CCCCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21 8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[3-[(17-fluoro-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-7-yl)oxy]propyl]oct-7-ynamide 13c CN(C1=C(C2=O)C=C(C=C1)F)C(N2CC3)C4=C3C(C=C5O[R1])=C(C=C5)N4 O=C(CCCCCC#C)NCCC O=C(CCCCCC#C[R2])NCCC[R1] O=C1NC(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])=O CRBN Q96SW2 [R1]OC1=CC2=C(C=C1)NC3=C2CCN4C3N(C5=C(C4=O)C=C(C=C5)F)C C#CCCCCCC(=O)NCCC [R1]CCCNC(=O)CCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 19/120/45 61.333333333333336 1 linker/linker_3935.sdf warhead/warhead_3933.sdf e3_ligand/e3_ligand_18.sdf 3879 Q9GZR2 RNA exonuclease 4 REXO4 PMC2 XPMC2H O=C(NCCCOC1=CC(C2=C(C(N3CC2)N(C)C4=C(C=C(F)C=C4)C3=O)N5)=C5C=C1)CCCCCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21 9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[3-[(17-fluoro-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-7-yl)oxy]propyl]non-8-ynamide 13d CN(C1=C(C2=O)C=C(C=C1)F)C(N2CC3)C4=C3C(C=C5O[R1])=C(C=C5)N4 O=C(CCCCCCC#C)NCCC O=C(CCCCCCC#C[R2])NCCC[R1] O=C1NC(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])=O CRBN Q96SW2 [R1]OC1=CC2=C(C=C1)NC3=C2CCN4C3N(C5=C(C4=O)C=C(C=C5)F)C C#CCCCCCCC(=O)NCCC [R1]CCCNC(=O)CCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 19/82/21 40.66666666666666 1 linker/linker_3936.sdf warhead/warhead_3933.sdf e3_ligand/e3_ligand_18.sdf 3880 Q9GZR2 RNA exonuclease 4 REXO4 PMC2 XPMC2H O=C(NCCCOC1=CC(C2=C(C(N3CC2)N(C)C4=C(C=C(F)C=C4)C3=O)N5)=C5C=C1)CCCCCCCC#CC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O CN1C2=CC=C(F)C=C2C(=O)N2CCC3=C([NH]C4=CC=C(OCCCNC(=O)CCCCCCCC#CC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)C=C34)C21 10-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-[3-[(17-fluoro-21-methyl-14-oxo-3,13,21-triazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-7-yl)oxy]propyl]dec-9-ynamide 13e CN(C1=C(C2=O)C=C(C=C1)F)C(N2CC3)C4=C3C(C=C5O[R1])=C(C=C5)N4 O=C(CCCCCCCC#C)NCCC O=C(CCCCCCCC#C[R2])NCCC[R1] O=C1NC(C(CC1)N(C2=O)CC3=C2C=CC=C3[R2])=O CRBN Q96SW2 [R1]OC1=CC2=C(C=C1)NC3=C2CCN4C3N(C5=C(C4=O)C=C(C=C5)F)C C#CCCCCCCCC(=O)NCCC [R1]CCCNC(=O)CCCCCCCC#C[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 21/96/14 43.66666666666666 1 linker/linker_3937.sdf warhead/warhead_3933.sdf e3_ligand/e3_ligand_18.sdf 3881 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC(N4CCC(CCN5CCN(C(C6=CC(CC7=NNC(C8=C7C=CC=C8)=O)=CC=C6F)=O)CC5)CC4)=C3)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCN(C(=O)C6=CC(CC7=N[NH]C(=O)C8=CC=CC=C78)=CC=C6F)CC5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]isoindole-1,3-dione A2 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CCC1CCNCC1 [R1]CCC1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCC1CCNCC1 [R1]CCC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O N.D./N.D./3.55 3.55 0 linker/linker_2110.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3882 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CCC(CC4)CN5CCC(CC5)CN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione A3 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CC(CC1)CCN1CC2CCNCC2 [R1]CC(CC1)CCN1CC2CCN([R2])CC2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 59.01/28.37/19.73 35.70333333333333 0 linker/linker_2149.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3883 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CCC(CC4)CN5CCC(CC5)CCN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]isoindole-1,3-dione A4 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CCC(CC1)CCN1CC2CCNCC2 [R1]CCC(CC1)CCN1CC2CCN([R2])CC2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCC1CCN(CC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 64.99/57.07/0.72 40.92666666666667 0 linker/linker_2709.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3884 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CC(C4)CN5CCC(CC5)CN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione B1 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CC(CC1)CCN1CC2CNC2 [R1]CC(CC1)CCN1CC2CN([R2])C2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CC1CCN(CC2CNC2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.45/12.32/10.41 14.06 0 linker/linker_2151.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3885 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CCC(C4)CN5CCC(CC5)CN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]isoindole-1,3-dione B2 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CC(CC1)CCN1CC2CCNC2 [R1]CC(CC1)CCN1CC2CCN([R2])C2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CC1CCN(CC2CCNC2)CC1 [R1]CC1CCN(CC1)CC2CCN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 64.37/54.37/39.63 52.79 0 linker/linker_3942.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3886 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CC(C4)CN5CCC(CC5)CCN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione B3 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CCC(CC1)CCN1CC2CNC2 [R1]CCC(CC1)CCN1CC2CN([R2])C2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCC1CCN(CC2CNC2)CC1 [R1]CCC1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32.68/N.D./N.D. 32.68 0 linker/linker_3943.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3887 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CCC(C4)CN5CCC(CC5)CCN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)C4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]methyl]pyrrolidin-1-yl]isoindole-1,3-dione B4 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CCC(CC1)CCN1CC2CCNC2 [R1]CCC(CC1)CCN1CC2CCN([R2])C2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCC1CCN(CC2CCNC2)CC1 [R1]CCC1CCN(CC1)CC2CCN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 51.60/58.88/16.39 42.29 0 linker/linker_3944.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3888 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C1C(CCC(N1)=O)N2C(C3=C(C=CC(N4CCC(CC4)CCN5CCC(CC5)CCN6CCN(CC6)C(C7=CC(CC(C8=C9C=CC=C8)=NNC9=O)=CC=C7F)=O)=C3)C2=O)=O O=C1CCC(N2C(=O)C3=CC=C(N4CCC(CCN5CCC(CCN6CCN(C(=O)C7=CC(CC8=N[NH]C(=O)C9=CC=CC=C89)=CC=C7F)CC6)CC5)CC4)C=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[2-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]ethyl]piperidin-1-yl]ethyl]piperidin-1-yl]isoindole-1,3-dione B5 FC1=CC=C(C=C1C(N2CCN([R1])CC2)=O)CC(C3=C4C=CC=C3)=NNC4=O CCC(CC1)CCN1CCC2CCNCC2 [R1]CCC(CC1)CCN1CCC2CCN([R2])CC2 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 86.24/64.69/43.42 64.78333333333335 0 linker/linker_3945.sdf warhead/warhead_3638.sdf e3_ligand/e3_ligand_616.sdf 3889 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CN(C6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)C5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide C2 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CNC1 [R1]CC1CN([R2])C1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CNC1 [R1]CC1CN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O N.D./8.02/11.39 9.705 0 linker/linker_1956.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3890 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CN(C6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)C5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide C3 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CNCC1 [R1]CC1CN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCNC1 [R1]CC1CCN(C1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 18.18/22.35/13.62 18.05 0 linker/linker_2555.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3891 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CCN(C6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide C4 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CCNCC1 [R1]CC1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCNCC1 [R1]CC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 4.68/N.D./3.70 4.19 0 linker/linker_1946.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3892 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(C6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(C6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide C5 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCNCC1 [R1]CCC1CCN([R2])CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCNCC1 [R1]CCC1CCN(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 33.21/23.34/32.99 29.846666666666664 0 linker/linker_2110.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3893 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CCN(CC6CN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)C6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D1 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CCN(CC2CNC2)CC1 [R1]CC1CCN(CC2CN([R2])C2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCN(CC2CNC2)CC1 [R1]CC1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 33.20/42.84/14.77 30.27 0 linker/linker_2151.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3894 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CCN(CC6CN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D2 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CCN(CC2CNCC2)CC1 [R1]CC1CCN(CC2CN([R2])CC2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCN(CC2CCNC2)CC1 [R1]CC1CCN(CC1)CC2CCN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 19.93/N.D./5.39 12.66 0 linker/linker_3942.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3895 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CCN(CC6CCN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D3 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC2CCN([R2])CC2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCN(CC2CCNCC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.50/42.33/25.47 23.1 0 linker/linker_2149.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3896 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(CC6CN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)C6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CC6CN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)C6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D4 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCN(CC2CNC2)CC1 [R1]CCC1CCN(CC2CN([R2])C2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCN(CC2CNC2)CC1 [R1]CCC1CCN(CC1)CC2CN(C2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 65.02/51.92/45.30 54.080000000000005 0 linker/linker_3943.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3897 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(CC6CCN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D5 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCN(CC2CCNCC2)CC1 [R1]CCC1CCN(CC2CCN([R2])CC2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCN(CC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 73.40/40.83/54.11 56.11333333333334 0 linker/linker_2709.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3898 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(CCC6CCN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC=C8C(=O)N(C9CCC(=O)NC9=O)C(=O)C8=C7)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D6 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CCC2CCN([R2])CC2)CC1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 25.23 72.60/84.28/87.96 25.23 81.61333333333333 1 linker/linker_3945.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3899 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(CCC6CCN(C7=CC8=C(C(N(C(CC9)C(NC9=O)=O)C8=O)=O)C=C7F)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC8=C(C=C7F)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D7 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CCC2CCN([R2])CC2)CC1 O=C(C1=C2C=C(F)C([R2])=C1)N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=CC2=C(C=C1F)C(=O)N(C2=O)C3CCC(=O)NC3=O 85.65/69.38/56.66 70.56333333333333 1 linker/linker_3945.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_2040.sdf 3900 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CCC5CCN(CCC6CCN(C7=CC=CC(C(N8C(CC9)C(NC9=O)=O)=O)=C7C8=O)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CCC5CCN(CCC6CCN(C7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[2-[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]ethyl]piperidin-4-yl]ethyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D8 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CCC2CCN([R2])CC2)CC1 O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CCC1CCN(CCC2CCNCC2)CC1 [R1]CCC1CCN(CC1)CCC2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 64.38/51.04/41.60 52.34 0 linker/linker_3945.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_16.sdf 3901 P09874 Poly (ADP-ribose) polymerase-1 PARP1 ARTD1 ADPRT O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN(CC5CCN(CC6CCN(CC7CN(C8=CC9=C(C(N(C(CC%10)C(NC%10=O)=O)C9=O)=O)C=C8)C7)CC6)CC5)CCC4)C=C3)N=C12)N NC(=O)C1=CC=CC2=CN(C3=CC=C([C@@H]4CCCN(CC5CCN(CC6CCN(CC7CN(C8=CC=C9C(=O)N(C%10CCC(=O)NC%10=O)C(=O)C9=C8)C7)CC6)CC5)C4)C=C3)N=C12 2-[4-[(3S)-1-[[1-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperidin-3-yl]phenyl]indazole-7-carboxamide D9 O=C(C1=CC=CC2=CN(C3=CC=C([C@H]4CN([R1])CCC4)C=C3)N=C12)N CC1CCN(CC2CCN(CC3CNC3)CC2)CC1 [R1]CC1CCN(CC2CCN(CC3CN([R2])C3)CC2)CC1 [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCC[C@H](C1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N CC1CCN(CC2CCN(CC3CNC3)CC2)CC1 [R1]CC1CCN(CC1)CC2CCN(CC2)CC3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 47.77/57.63/33.63 46.34333333333333 0 linker/linker_3958.sdf warhead/warhead_3454.sdf e3_ligand/e3_ligand_616.sdf 3902 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-02 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NC O=C(CN1N=CC([R1])=C1)NC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./32.65/90.94 61.795 0 linker/linker_3959.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3903 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-03 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCC O=C(CN1N=CC([R1])=C1)NCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./57.25/95.55 76.4 1 linker/linker_3960.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3904 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[4-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]butanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-04 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCC O=C(CN1N=CC([R1])=C1)NCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 25.82/80.83/97.81 68.15333333333334 0 linker/linker_3961.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3905 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[5-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-05 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCC O=C(CN1N=CC([R1])=C1)NCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29.33/76.57/91.89 65.92999999999999 0 linker/linker_3962.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3906 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-06 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCC O=C(CN1N=CC([R1])=C1)NCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 217.15 43.18/81.39/98.51 217.15 74.36 1 linker/linker_3963.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3907 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 O=C(NCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[6-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-06 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCC O=C(CN1N=CC([R1])=C1)NCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 13079 13079.0 0 linker/linker_3963.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3908 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-07 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 94.08 40.19/83.91/98.69 94.08 74.26333333333334 1 linker/linker_3965.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3909 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 O=C(NCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[7-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-07 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 141.99 141.99 1 linker/linker_3965.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3910 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-08 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 76.94 37.02/83.96/99.32 76.94 73.43333333333332 1 linker/linker_3967.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3911 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 O=C(NCCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[8-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-08 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 758.9 758.9 1 linker/linker_3967.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3912 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[9-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-09 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 27.44/60.37/94.46 60.75666666666666 0 linker/linker_3969.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3913 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCCCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-10 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 571.35 3.61/70.86/98.18 571.35 57.55 1 linker/linker_3970.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3914 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 O=C(NCCCCCCCCCCC(N[C@H](C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)=O)O)=O)C(C)(C)C)=O)CN4N=CC(C5=CC=C6C=C(O)C(N(CC(N7)=O)S7(=O)=O)=C(F)C6=C5)=C4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCNC(=O)CN3C=C(C4=CC=C5C=C(O)C(N6CC(=O)NS6(=O)=O)=C(F)C5=C4)C=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[11-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]undecanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-10 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCCCCCCCC O=C(CN1N=CC([R1])=C1)NCCCCCCCCCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCCCCCCCCCNC(=O)CN1C=CC=N1 [R1]C1=CN(N=C1)CC(=O)NCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1996 1996.0 0 linker/linker_3970.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3915 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(NCCCN1N=NC(C(N[C@H](C(N2C[C@@H](C[C@H]2C(N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)=O)O)=O)C(C)(C)C)=O)=C1)CN5N=CC(C6=CC=C7C=C(O)C(N(CC(N8)=O)S8(=O)=O)=C(F)C7=C6)=C5 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)C3=CN(CCCNC(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)N=N3)C(C)(C)C)C=C2)SC=N1 1-[3-[[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]amino]propyl]-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]triazole-4-carboxamide PVD-11 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)NCCCN2N=NC=C2 O=C(CN1N=CC([R1])=C1)NCCCN2N=NC([R2])=C2 O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F O=C(CN1C=CC=N1)NCCCN1C=CN=N1 [R1]C1=CN(N=C1)CC(=O)NCCCN2C=C(N=N2)[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./N.D./61.55 61.55 0 linker/linker_3972.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3916 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(N1CCC(NCC(N[C@H](C(N2C[C@@H](C[C@H]2C(N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)=O)O)=O)C(C)(C)C)=O)CC1)CN5N=CC(C6=CC=C7C=C(O)C(N(CC(N8)=O)S8(=O)=O)=C(F)C7=C6)=C5 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CNC3CCN(C(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[[1-[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]piperidin-4-yl]amino]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-12 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)N2CCC(CC2)NC O=C(CN1N=CC([R1])=C1)N2CCC(CC2)NC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CNC1CCN(C(=O)CN2C=CC=N2)CC1 [R1]C1=CN(N=C1)CC(=O)N2CCC(CC2)NC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C N.D./72.28/98.71 85.495 1 linker/linker_3973.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3917 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP O=C(N1CCC(NCCC(N[C@H](C(N2C[C@@H](C[C@H]2C(N[C@@H](C)C3=CC=C(C=C3)C4=C(N=CS4)C)=O)O)=O)C(C)(C)C)=O)CC1)CN5N=CC(C6=CC=C7C=C(O)C(N(CC(N8)=O)S8(=O)=O)=C(F)C7=C6)=C5 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCNC3CCN(C(=O)CN4C=C(C5=CC=C6C=C(O)C(N7CC(=O)NS7(=O)=O)=C(F)C6=C5)C=N4)CC3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[3-[[1-[2-[4-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]pyrazol-1-yl]acetyl]piperidin-4-yl]amino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide PVD-13 OC1=CC2=CC=C([R1])C=C2C(F)=C1N3CC(NS3(=O)=O)=O O=C(CN1N=CC=C1)N2CCC(CC2)NCC O=C(CN1N=CC([R1])=C1)N2CCC(CC2)NCC[R2] O=C([R2])N[C@@H](C(C)(C)C)C(N1C[C@H](O)C[C@H]1C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)=O VHL P40337 [R1]C1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F CCNC1CCN(C(=O)CN2C=CC=N2)CC1 [R1]C1=CN(N=C1)CC(=O)N2CCC(CC2)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 15.08/35.30/84.84 45.07333333333333 0 linker/linker_3974.sdf warhead/warhead_3959.sdf e3_ligand/e3_ligand_23.sdf 3918 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D3 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCC=O O=C([R2])CCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCC=O [R1]NCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >200000 200000.0 0 linker/linker_3975.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3919 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D4 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCCC=O O=C([R2])CCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCCC=O [R1]NCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >200000 200000.0 0 linker/linker_2657.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3920 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D5 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCCCC=O O=C([R2])CCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCCCC=O [R1]NCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >200000 200000.0 0 linker/linker_3977.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3921 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCCCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D6 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCCCCC=O O=C([R2])CCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCCCCC=O [R1]NCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 61460 61460.0 0 linker/linker_469.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3922 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCCCCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-7-oxoheptyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D7 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCCCCCC=O O=C([R2])CCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCCCCCC=O [R1]NCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >200000 200000.0 0 linker/linker_2655.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3923 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCCCCCCC(NC4=CC=CC5=C4CN(C(CC6)C(NC6=O)=O)C5=O)=O O=C1CCC(N2CC3=C(NC(=O)CCCCCCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)C=CC=C3C2=O)C(=O)N1 N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-8-oxooctyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D8 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCCCCCCC=O O=C([R2])CCCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O NCCCCCCCC=O [R1]NCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >200000 200000.0 0 linker/linker_467.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_17.sdf 3924 O75030 Microphthalmia-associated transcription factor MITF BHLHE32 O=C(C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O)NCCOCCOCCNC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O O=C1CCC(N2C(=O)C3=CC=CC(NCCOCCOCCNC(=O)C4=CC(O)=C5C(=O)C6=C(O)C=CC=C6C(=O)C5=C4)=C3C2=O)C(=O)N1 N-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxamide D9 O=C([R1])C(C=C1C2=O)=CC(O)=C1C(C3=C2C=CC=C3O)=O NCCOCCOCC [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC(C(N2C(C(N3)=O)CCC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]C(=O)C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O CCOCCOCCN [R1]NCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 16920 16920.0 0 linker/linker_416.sdf warhead/warhead_3975.sdf e3_ligand/e3_ligand_7.sdf 3925 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCC(NCCC#CC4=NC=CC(NC5=NC=C(C(C(C=C6C7=O)=CN6C[C@H](N7CC8=NC(C)=CC=C8)C)=N5)C)=C4)=O)C2=O)=O CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCNC(=O)CCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1 10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-[4-[4-[[5-methyl-4-[(3R)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]decanamide B1-10 CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] O=C(CCCCCCCCC)NCCC#CC1=NC=CC=C1 O=C(CCCCCCCCC[R2])NCCC#CC1=NC=CC([R1])=C1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCCC(=O)NCCC#CC1=CC=CC=N1 [R1]C1=CC(=NC=C1)C#CCCNC(=O)CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 332.8 >30000/>30000/>30000 332.8 30000.0 1 linker/linker_3982.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_7.sdf 3926 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 C[C@@H]1CN2C=C(C=C2C(=O)N1CC1=CC=CC(C)=N1)C1=NC(NC2C=CN=C(CCNC(=O)CCCCCCCCC(=O)N[C@H](C(N3[C@H](C(N[C@@H](C)C4C=CC(C5=C(N=CS5)C)=CC=4)=O)C[C@H](C3)O)=O)C(C)(C)C)C=2)=NC=C1C CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[5-methyl-4-[(3R)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]ethyl]decanediamide B2-10 CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] O=C(CCCCCCCC)NCCC1=NC=CC=C1 O=C(CCCCCCCC[R2])NCCC1=NC=CC([R1])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCC(=O)NCCC1=CC=CC=N1 [R1]C1=CC(=NC=C1)CCNC(=O)CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 698.5 698.5 1 linker/linker_3983.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_23.sdf 3927 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 C[C@@H]1CN2C=C(C=C2C(=O)N1CC1=CC=CC(C)=N1)C1=NC(NC2C=CN=C(CCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(N3[C@H](C(N[C@@H](C)C4C=CC(C5=C(N=CS5)C)=CC=4)=O)C[C@H](C3)O)=O)C(C)(C)C)C=2)=NC=C1C CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[5-methyl-4-[(3R)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]ethyl]dodecanediamide B2-12 CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] O=C(CCCCCCCCCC)NCCC1=NC=CC=C1 O=C(CCCCCCCCCC[R2])NCCC1=NC=CC([R1])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCCCC(=O)NCCC1=CC=CC=N1 [R1]C1=CC(=NC=C1)CCNC(=O)CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 383 7500/>30000/11700 383.0 16400.0 1 linker/linker_3984.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_23.sdf 3928 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 C[C@@H]1CN2C=C(C=C2C(=O)N1CC1=CC=CC(C)=N1)C1=NC(NC2C=CN=C(CCNC(=O)CCCCCCCCCCCCC(=O)N[C@H](C(N3[C@H](C(N[C@@H](C)C4C=CC(C5=C(N=CS5)C)=CC=4)=O)C[C@H](C3)O)=O)C(C)(C)C)C=2)=NC=C1C CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(CCNC(=O)CCCCCCCCCCCCC(=O)N[C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)C(C)(C)C)=C5)=NC=C4C)=CN3C[C@H]2C)=N1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[[5-methyl-4-[(3R)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]ethyl]tetradecanediamide B2-14 CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] O=C(CCCCCCCCCCCC)NCCC1=NC=CC=C1 O=C(CCCCCCCCCCCC[R2])NCCC1=NC=CC([R1])=C1 O=C([R2])N[C@@H](C(C)(C)C)C(N1[C@H](C(N[C@H](C2=CC=C(C3=C(C)N=CS3)C=C2)C)=O)C[C@@H](O)C1)=O VHL P40337 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCCCCCC(=O)NCCC1=CC=CC=N1 [R1]C1=CC(=NC=C1)CCNC(=O)CCCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 306.9 306.9 1 linker/linker_3985.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_23.sdf 3929 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCCCN(CCC#CC4=NC=CC(NC5=NC=C(C(C(C=C6C7=O)=CN6C[C@H](N7CC8=NC(C)=CC=C8)C)=N5)C)=C4)C)C2=O)=O CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN(C)CCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)=C5)=NC=C4C)=CN3C[C@H]2C)=N1 2-(2,6-dioxopiperidin-3-yl)-4-[10-[methyl-[4-[4-[[5-methyl-4-[(3R)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]amino]decylamino]isoindole-1,3-dione B1-10J CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] CN(CCC#CC1=NC=CC=C1)CCCCCCCCCC CN(CCC#CC1=NC=CC([R1])=C1)CCCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCCCN(C)CCC#CC1=CC=CC=N1 [R1]C1=CC(=NC=C1)C#CCCN(C)CCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 102/85 16800/6500/17800 93.5 13700.0 1 linker/linker_3986.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_7.sdf 3930 P27361 Mitogen-activated protein kinase 3 ERK1 MAPK3 PRKM3 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3NCCCCCCCCN4CCN(CC4)CCC#CC5=NC=CC(NC6=NC=C(C(C(C=C7C8=O)=CN7C[C@@H](N8CC9=NC(C)=CC=C9)C)=N6)C)=C5)C2=O)=O CC1=CC=CC(CN2C(=O)C3=CC(C4=NC(NC5=CC=NC(C#CCCN6CCN(CCCCCCCCNC7=CC=CC8=C7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)=C5)=NC=C4C)=CN3C[C@@H]2C)=N1 2-(2,6-dioxopiperidin-3-yl)-4-[8-[4-[4-[4-[[5-methyl-4-[(3S)-3-methyl-2-[(6-methylpyridin-2-yl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-7-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]piperazin-1-yl]octylamino]isoindole-1,3-dione B1-10P CC(C(C(C=C1C2=O)=CN1C[C@H](N2CC3=NC(C)=CC=C3)C)=N4)=CN=C4N[R1] CCCCCCCCN1CCN(CC1)CCC#CC2=NC=CC=C2 [R1]C1=CC(C#CCCN(CC2)CCN2CCCCCCCC[R2])=NC=C1 O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]NC1=NC=C(C(=N1)C2=CN3C[C@H](N(C(=O)C3=C2)CC4=CC=CC(=N4)C)C)C CCCCCCCCN1CCN(CCC#CC2=CC=CC=N2)CC1 [R1]C1=CC(=NC=C1)C#CCCN2CCN(CC2)CCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O >30000/>30000/2200 20733.33333333333 0 linker/linker_3987.sdf warhead/warhead_3982.sdf e3_ligand/e3_ligand_7.sdf 3931 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13b O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCO O=C([R1])CO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1.26 58 1.26 58.0 1 linker/linker_1673.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_16.sdf 3932 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCOC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13c O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCO O=C([R1])CCCO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 30 30.0 0 linker/linker_824.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_16.sdf 3933 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCOC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyhexanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13d O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCO O=C([R1])CCCCCO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 36 36.0 0 linker/linker_826.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_16.sdf 3934 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCOC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyoctanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13e O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCCO O=C([R1])CCCCCCCO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCCCO [R1]C(=O)CCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 29 29.0 0 linker/linker_2131.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_16.sdf 3935 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCCCOC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCOC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxydecanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13f O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCCCCO O=C([R1])CCCCCCCCCO[R2] O=C(C1=C2C=CC=C1[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCCCCCO [R1]C(=O)CCCCCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_630.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_16.sdf 3936 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(COC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 14b O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCO O=C([R1])CO[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCO [R1]C(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_1673.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3937 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCOC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 14c O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCO O=C([R1])CCCO[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCO [R1]C(=O)CCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_824.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3938 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCOC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[6-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyhexanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 14d O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCO O=C([R1])CCCCCO[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCO [R1]C(=O)CCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 32 32.0 0 linker/linker_826.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3939 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCOC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyoctanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 14e O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCCO O=C([R1])CCCCCCCO[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCCCO [R1]C(=O)CCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 6 6.0 0 linker/linker_2131.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3940 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCCCOC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCOC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxydecanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 14f O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCCCCO O=C([R1])CCCCCCCCCO[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCCCCCCCCCO [R1]C(=O)CCCCCCCCCO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_630.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3941 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 15a O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N CC=O O=C([R1])C[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CC=O [R1]C(=O)C[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0.98 60 0.98 60.0 1 linker/linker_521.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3942 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 15b O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCC O=C([R1])CCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 34 34.0 0 linker/linker_232.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3943 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 15c O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCC O=C([R1])CCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.26 66 2.26 66.0 1 linker/linker_255.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3944 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 15d O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCC O=C([R1])CCCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 50 50.0 0 linker/linker_257.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3945 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCCCNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCNC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 15e O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCCCCCCCCC O=C([R1])CCCCCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC CCCCCCCCCC=O [R1]C(=O)CCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_258.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_7.sdf 3946 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CNC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]acetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 16a O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N NCC=O O=C([R1])CN[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC NCC=O [R1]C(=O)CN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 52 52.0 0 linker/linker_222.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3947 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCNC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 16b O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N NCCCC=O O=C([R1])CCCN[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC NCCCC=O [R1]C(=O)CCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 9 9.0 0 linker/linker_2657.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3948 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCNC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]hexanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 16c O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N NCCCCCC=O O=C([R1])CCCCCN[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC NCCCCCC=O [R1]C(=O)CCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 52 52.0 0 linker/linker_469.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3949 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCNC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]octanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 16d O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N NCCCCCCCC=O O=C([R1])CCCCCCCN[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC NCCCCCCCC=O [R1]C(=O)CCCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 40 40.0 0 linker/linker_467.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3950 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(CCCCCCCCCNC6=CC7=C(C(N(C(CC8)C(NC8=O)=O)C7=O)=O)C=C6)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)CCCCCCCCCNC5=CC=C6C(=O)N(C7CCC(=O)NC7=O)C(=O)C6=C5)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]decanoyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 16e O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N NCCCCCCCCCC=O O=C([R1])CCCCCCCCCN[R2] [R2]C1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1 CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC NCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 0 0.0 0 linker/linker_465.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_616.sdf 3951 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(COC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5CN(C5CCC(=O)NC5=O)C6=O)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13ba LWY713 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N OCC=O O=C([R1])CO[R2] O=C1C(CCC(N1)=O)N2CC3=C(C=CC=C3[R2])C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCO [R1]C(=O)CO[R2] [R2]C1=C2CN(C(=O)C2=CC=C1)C3CCC(=O)NC3=O 0.64 1.5 0.64 1.5 1 linker/linker_1673.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_18.sdf 3952 P36888 FMSLike tyrosine kinase 3 FLT3 FLK-2 STK-1 O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN(C(COC6=CC=CC(CN7C(CC8)C(NC8=O)=O)=C6C7=O)=O)CC5)CC4)C(OC)=C3)N CCC1=NC(C(N)=O)=C(NC2=CC=C(N3CCC(N4CCN(C(=O)COC5=CC=CC6=C5C(=O)N(C5CCC(=O)NC5=O)C6)CC4)CC3)C(OC)=C2)N=C1NC1CCOCC1 3-[4-[4-[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]oxy]acetyl]piperazin-1-yl]piperidin-1-yl]-3-methoxyanilino]-6-ethyl-5-(oxan-4-ylamino)pyrazine-2-carboxamide 13bb O=C(C1=NC(CC)=C(NC2CCOCC2)N=C1NC3=CC=C(N4CCC(N5CCN([R1])CC5)CC4)C(OC)=C3)N O=CCO O=C([R1])CO[R2] [R2]C1=CC=CC(CN2C(CC3)C(NC3=O)=O)=C1C2=O CRBN Q96SW2 [R1]N1CCN(CC1)C2CCN(CC2)C3=C(C=C(C=C3)NC4=NC(=C(N=C4C(=O)N)CC)NC5CCOCC5)OC O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)CN(C2=O)C3CCC(=O)NC3=O 1.01 1.01 1 linker/linker_1673.sdf warhead/warhead_3221.sdf e3_ligand/e3_ligand_1358.sdf 3953 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB N(CC1C=CC(=CC=1)C1=C(C)N=CS1)C(=O)[C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCOC1C=C2C(C(C3C=CC(=C(C=3)C3CCCC3)C(=O)O)=NC=N2)=CC=1)=O)=O)O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexoxy]quinazolin-4-yl]benzoic acid 9 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCC [R1]CCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >10000 10000.0 0 linker/linker_2.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3954 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptoxy]quinazolin-4-yl]benzoic acid 10 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCC [R1]CCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 2000 2000.0 0 linker/linker_12.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3955 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctoxy]quinazolin-4-yl]benzoic acid 11 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCCC [R1]CCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 510 510.0 1 linker/linker_13.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3956 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[9-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-9-oxononoxy]quinazolin-4-yl]benzoic acid 12 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCCCC [R1]CCCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 620 620.0 1 linker/linker_33.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3957 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecoxy]quinazolin-4-yl]benzoic acid 13 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCCCCC [R1]CCCCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 290 290.0 1 linker/linker_34.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3958 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecoxy]quinazolin-4-yl]benzoic acid 14 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCCCCCC [R1]CCCCCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCCCCCC [R1]CCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 530 530.0 1 linker/linker_35.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3959 Q96RR4 Calcium/calmodulin-dependent protein kinase kinase 2 CAMKK2 CAMKKB C([C@@H]1C[C@H](CN1C([C@H](C(C)(C)C)NC(CCCCCCCCCCCOC1C=C2C(=CC=1)C(C1=CC(=C(C=C1)C(O)=O)C1CCCC1)=NC=N2)=O)=O)O)(=O)NCC1=CC=C(C=C1)C1=C(C)N=CS1 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)CCCCCCCCCCCOC3=CC=C4C(C5=CC=C(C(=O)O)C(C6CCCC6)=C5)=NC=NC4=C3)C(C)(C)C)C=C2)SC=N1 2-cyclopentyl-4-[7-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecoxy]quinazolin-4-yl]benzoic acid 15 OC(C1=C(C=C(C2=NC=NC3=CC(O[R1])=CC=C23)C=C1)C4CCCC4)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] O[C@H](C[C@H]1C(NCC2=CC=C(C=C2)C3=C(C)N=CS3)=O)CN1C([C@H](C(C)(C)C)NC([R2])=O)=O VHL P40337 [R1]OC1=CC2=C(C=C1)C(=NC=N2)C3=CC(=C(C=C3)C(=O)O)C4CCCC4 CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4500 4500.0 0 linker/linker_36.sdf warhead/warhead_4010.sdf e3_ligand/e3_ligand_27.sdf 3960 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-5-oxopentyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC4P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCC=O O=C([R2])CCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCC=O [R1]NCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 25 25.0 0 linker/linker_3977.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3961 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-5-oxopentyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC4P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCC=O O=C([R2])CCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCC=O [R1]NCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3977.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3962 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC5P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCC=O O=C([R2])CCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCC=O [R1]NCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 48 48.0 0 linker/linker_469.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3963 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-6-oxohexyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC5P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCC=O O=C([R2])CCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCC=O [R1]NCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 7 7.0 0 linker/linker_469.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3964 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-oxoheptyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC6P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCC=O O=C([R2])CCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCC=O [R1]NCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 29 29.0 0 linker/linker_2655.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3965 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-7-oxoheptyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC6P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCC=O O=C([R2])CCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCC=O [R1]NCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_2655.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3966 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC7P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCC=O O=C([R2])CCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCC=O [R1]NCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 9 9.0 0 linker/linker_467.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3967 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-8-oxooctyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC7P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCC=O O=C([R2])CCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCC=O [R1]NCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_467.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3968 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-9-oxononyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC8P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCC=O O=C([R2])CCCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCC=O [R1]NCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_4025.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3969 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-9-oxononyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC8P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCC=O O=C([R2])CCCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCC=O [R1]NCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_4025.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3970 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC9P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCCC=O O=C([R2])CCCCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCCC=O [R1]NCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_465.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3971 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCCC(NC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCCC(=O)NC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-10-oxodecyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC9P FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCCC=O O=C([R2])CCCCCCCCCN[R1] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCCC=O [R1]NCCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_465.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_7.sdf 3972 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC4L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCC=O O=C([R2])CCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCC=O [R1]NCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3977.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3973 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC4L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCC=O O=C([R2])CCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCC=O [R1]NCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_3977.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3974 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC5L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCC=O O=C([R2])CCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCC=O [R1]NCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 94 94.0 1 linker/linker_469.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3975 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC5L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCC=O O=C([R2])CCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCC=O [R1]NCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 32 32.0 0 linker/linker_469.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3976 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-7-oxoheptyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC6L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCC=O O=C([R2])CCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCC=O [R1]NCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 92 92.0 1 linker/linker_2655.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3977 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-7-oxoheptyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC6L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCC=O O=C([R2])CCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCC=O [R1]NCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 36 36.0 0 linker/linker_2655.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3978 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-8-oxooctyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC7L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCC=O O=C([R2])CCCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCC=O [R1]NCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_467.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3979 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-8-oxooctyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TC7L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCC=O O=C([R2])CCCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCC=O [R1]NCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_467.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3980 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-9-oxononyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TP8L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCC=O O=C([R2])CCCCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCC=O [R1]NCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_4025.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3981 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCCCCCCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCCCCCCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[[9-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-9-oxononyl]amino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TP8L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCCCCCCCC=O O=C([R2])CCCCCCCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCCCCCCCC=O [R1]NCCCCCCCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_4025.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3982 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCOCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethylamino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TP1L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCOCCC=O O=C([R2])CCOCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCOCCC=O [R1]NCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 35.8 >95 35.8 95.0 1 linker/linker_4039.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3983 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(NCCOCCC(NC5=CC=CC6=C5CN(C(CC7)C(NC7=O)=O)C6=O)=O)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)NCCOCCC(=O)NC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)C=C1 [[4-[(2S)-3-[[(2S)-1-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]ethylamino]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TP1L FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F NCCOCCC=O O=C([R2])CCOCCN[R1] O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C NCCOCCC=O [R1]NCCOCCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O <5 5.0 0 linker/linker_4039.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3984 P17706 Tyrosine-protein phosphatase non-receptor type 2 PTPN2 PTPT TCPTP FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(N5CCN(CCC(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)N2CCN(CCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 [[4-[(2S)-3-[[(2S)-1-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]piperazin-1-yl]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TPiL FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F O=CCCN1CCNCC1 O=C([R2])CCN1CCN([R1])CC1 O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C O=CCCN1CCNCC1 [R1]N1CCN(CC1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O >95 95.0 1 linker/linker_3483.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3985 P18031 Tyrosine-protein phosphatase non-receptor type 1 PTP1B PTN1 PTPN1 FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C(N5CCN(CCC(NC6=CC=CC7=C6CN(C(CC8)C(NC8=O)=O)C7=O)=O)CC5)=O)=O)C=C1)(P(O)(O)=O)F CCC1=CC=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC2=CC=C(C(F)(F)P(=O)(O)O)C=C2)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(=O)N2CCN(CCC(=O)NC3=CC=CC4=C3CN(C3CCC(=O)NC3=O)C4=O)CC2)C=C1 [[4-[(2S)-3-[[(2S)-1-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropyl]piperazin-1-yl]-6-[(4-ethylbenzoyl)amino]-1-oxohexan-2-yl]amino]-2-[[(2S)-2-[[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid TPiL FC(C1=CC=C(C[C@H](NC([C@@H](NC(CO[C@@H]2[C@@H](C(C)C)CC[C@H](C)C2)=O)CC3=CC=CC=C3)=O)C(N[C@@H](CCCCNC(C4=CC=C(CC)C=C4)=O)C([R1])=O)=O)C=C1)(P(O)(O)=O)F O=CCCN1CCNCC1 O=C([R2])CCN1CCN([R1])CC1 O=C1N(C(CC2)C(NC2=O)=O)CC3=C1C=CC=C3N[R2] CRBN Q96SW2 [R1]C(=O)[C@H](CCCCNC(=O)C1=CC=C(C=C1)CC)NC(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)P(=O)(O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CO[C@H]4C[C@H](CC[C@@H]4C(C)C)C O=CCCN1CCNCC1 [R1]N1CCN(CC1)CCC(=O)[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 88 88.0 1 linker/linker_3483.sdf warhead/warhead_4017.sdf e3_ligand/e3_ligand_17.sdf 3986 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N(CC5)CCN5C(COC6=CC(C(N7C(C8=O)CCC(N8)=O)=O)=C(C=C6)C7=O)=O)=CC=C1OC COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)COC6=CC=C7C(=O)N(C8CCC(=O)NC8=O)C(=O)C7=C6)CC5)C=C4)C=C23)C=C1OC 5-[2-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione A1 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCO O=C([R1])CO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC([R2])=C3)C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 O=CCO [R1]C(=O)CO[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 20.32/1.83/30.99 17.713333333333335 0 linker/linker_1673.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_616.sdf 3987 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3OCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)COC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[2-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione A2 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCO O=C([R1])CO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 O=CCO [R1]C(=O)CO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 24.76/55.35/42.57 40.89333333333334 0 linker/linker_1673.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_16.sdf 3988 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[2-[3-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione B1 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCOCC O=C([R1])CCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCOCCC=O [R1]C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1.8 99.29/100/100 1.8 99.76333333333334 1 linker/linker_530.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3989 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[2-[2-[3-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione B2 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCOCCOCC O=C([R1])CCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCOCCOCCC=O [R1]C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 21 89.80/95.80/94.41 21.0 93.33666666666666 1 linker/linker_917.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3990 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCOCCOCCOCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCOCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[2-[2-[2-[3-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione B3 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCOCCOCCOCC O=C([R1])CCOCCOCCOCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCOCCOCCOCCC=O [R1]C(=O)CCOCCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 80.52/30.12/27.12 45.92 0 linker/linker_730.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3991 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3OCCOCCOCCOCCOCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCOCCOCCOCCOCCOC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[2-[2-[2-[2-[3-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione B4 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCOCCOCCOCCOCCO O=C([R1])CCOCCOCCOCCOCCO[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 O=CCCOCCOCCOCCOCCO [R1]C(=O)CCOCCOCCOCCOCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 12.7 86.43/93.14/25.19 12.7 68.25333333333333 1 linker/linker_4048.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_16.sdf 3992 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[[4-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-4-oxobutyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione C1 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCC O=C([R1])CCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 22.31/30.95/28.04 27.1 0 linker/linker_232.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3993 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[[6-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-6-oxohexyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione C2 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCCCC O=C([R1])CCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2.6 86.09/86.94/74.06 2.6 82.36333333333333 1 linker/linker_255.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3994 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[[8-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-8-oxooctyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione C3 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCCCCCC O=C([R1])CCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCCCCCCC=O [R1]C(=O)CCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 17.82/24.41/21.76 21.33 0 linker/linker_257.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3995 Q92918 Mitogen-activated protein kinase kinase kinase kinase 1 MAP4K1 HPK1 MEKKK 1 O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCCCCCCCCC(N4CCN(C5=CC=C(C6=CN=C(NC=C7C8=CC=C(OC)C(OC)=C8)C7=C6)C=C5)CC4)=O)=O COC1=CC=C(C2=C[NH]C3=NC=C(C4=CC=C(N5CCN(C(=O)CCCCCCCCCCCNC6=CC=CC7=C6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C=C4)C=C23)C=C1OC 4-[[12-[4-[4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]-12-oxododecyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione C4 COC1=CC(C2=CNC3=NC=C(C=C23)C(C=C4)=CC=C4N5CCN([R1])CC5)=CC=C1OC O=CCCCCCCCCCCC O=C([R1])CCCCCCCCCCC[R2] O=C1C(CCC(N1)=O)N2C(C3=C(C=CC=C3N[R2])C2=O)=O CRBN Q96SW2 [R1]N1CCN(CC1)C2=CC=C(C=C2)C3=CC4=C(NC=C4C5=CC(=C(C=C5)OC)OC)N=C3 CCCCCCCCCCCC=O [R1]C(=O)CCCCCCCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 11.78/N.D./9.16 10.47 0 linker/linker_3116.sdf warhead/warhead_4043.sdf e3_ligand/e3_ligand_7.sdf 3996 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(NC(CC1)=O)C1N2CC3=CC(C4CCN(C(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)CC4)=CC=C3C2=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)N1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 3-[6-[1-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione Pro-1 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 C1CCNCC1 [R1]N1CCC([R2])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C C1CCNCC1 [R1]N1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 9.1 9.1 1 linker/linker_326.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 3997 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N2CC3=CC(C(CC4)CCN4CCNC(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)=CC=C3C2=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]ethyl]acetamide Pro-2 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCN1CCCCC1 [R2]C1CCN(CCN[R1])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1CCCCC1 [R1]NCCN1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 21.1 21.1 1 linker/linker_4054.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 3998 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N2CC3=CC(C(CC4)CCN4CCCNC(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)=CC=C3C2=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]propyl]acetamide Pro-3 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCCN1CCCCC1 [R1]NCCCN1CCC([R2])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCN1CCCCC1 [R1]NCCCN1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 2.3 2.3 1 linker/linker_4055.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 3999 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N2CC3=CC(C(CC4)CCN4CCCCNC(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)=CC=C3C2=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]butyl]acetamide Pro-4 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCCCN1CCCCC1 [R1]NCCCCN1CCC([R2])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCN1CCCCC1 [R1]NCCCCN1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 12.8 12.8 1 linker/linker_4056.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4000 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N2CC3=CC(C(CC4)CCN4CCCCCNC(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)=CC=C3C2=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]pentyl]acetamide Pro-5 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCCCCN1CCCCC1 [R1]NCCCCCN1CCC([R2])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCN1CCCCC1 [R1]NCCCCCN1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1.8 1.8 1 linker/linker_4057.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4001 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(CCC1N2CC3=CC(C(CC4)CCN4CCCCCCNC(C[C@H](N=C(C5=C6SC(C)=C5C)C(C=C7)=CC=C7Cl)C8=NN=C(N86)C)=O)=CC=C3C2=O)NC1=O CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCN1CCC(C3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]hexyl]acetamide Pro-6 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCCCCCN1CCCCC1 [R1]NCCCCCCN1CCC([R2])CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCCCCCN1CCCCC1 [R1]NCCCCCCN1CCC(CC1)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 0.7 0.7 1 linker/linker_4058.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4002 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]phenyl]acetamide Pro-7 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)N [R1]NC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(N)C=C1 [R1]NC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_4059.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4003 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]anilino]ethyl]acetamide Pro-8 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)NCCN [R1]NCCNC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(NCCN)C=C1 [R1]NCCNC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_4060.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4004 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NCCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[3-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]anilino]propyl]acetamide Pro-9 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)NCCCN [R1]NCCCNC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(NCCCN)C=C1 [R1]NCCCNC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 16.7 16.7 1 linker/linker_4061.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4005 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NCCCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]anilino]butyl]acetamide Pro-10 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)NCCCCN [R1]NCCCCNC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(NCCCCN)C=C1 [R1]NCCCCNC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O >10000 10000.0 0 linker/linker_4062.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4006 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NCCCCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]anilino]pentyl]acetamide Pro-11 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)NCCCCCN [R1]NCCCCCNC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(NCCCCCN)C=C1 [R1]NCCCCCNC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 2.6 2.6 1 linker/linker_4063.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4007 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C1N(C2C(NC(CC2)=O)=O)CC3=CC(CC4=CC=C(NCCCCCCNC(C[C@@H]5N=C(C6=CC=C(Cl)C=C6)C7=C(SC(C)=C7C)N8C5=NN=C8C)=O)C=C4)=CC=C31 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCCCCCNC1=CC=C(CC3=CC=C4C(=O)N(C5CCC(=O)NC5=O)CC4=C3)C=C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[6-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]anilino]hexyl]acetamide Pro-12 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 CC1=CC=C(C=C1)NCCCCCCN [R1]NCCCCCCNC(C=C1)=CC=C1C[R2] O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C CC1=CC=C(NCCCCCCN)C=C1 [R1]NCCCCCCNC1=CC=C(C=C1)C[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 2 2.0 1 linker/linker_4064.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4008 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)NCCN(CC5)CCC5(CC6)CCC6C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9)=O)C9=C7 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CCC3(CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)CC1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[9-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-azaspiro[5.5]undecan-3-yl]ethyl]acetamide Pro-13 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCN1CCC2(CCCCC2)CC1 [R1]NCCN1CCC2(CCC([R2])CC2)CC1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1CCC2(CCCCC2)CC1 [R1]NCCN1CCC2(CCC(CC2)[R2])CC1 [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 1.9 1.9 1 linker/linker_4065.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4009 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)NCCN(C5)CC5(CC6)CCC6C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9)=O)C9=C7 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CC3(CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-azaspiro[3.5]nonan-2-yl]ethyl]acetamide Pro-14 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCN1CC2(CCCCC2)C1 [R1]NCCN1CC2(CCC([R2])CC2)C1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1CC2(CCCCC2)C1 [R1]NCCN1CC2(C1)CCC(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 11.2 11.2 1 linker/linker_4066.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4010 O60885 Bromodomain-containing protein 4 BRD4 HUNK1 O=C(C[C@@H]1N=C(C2=CC=C(Cl)C=C2)C3=C(SC(C)=C3C)N4C1=NN=C4C)NCCN(C5)CC5N(CC6)CCC6C7=CC=C(C(N(C8C(NC(CC8)=O)=O)C9)=O)C9=C7 CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NCCN1CC(N3CCC(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)CC5=C4)CC3)C1)N=C2C1=CC=C(Cl)C=C1 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[2-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]azetidin-1-yl]ethyl]acetamide Pro-15 CC1=C(C)C(C(C2=CC=C(Cl)C=C2)=N[C@H](C3=NN=C(C)N34)CC([R1])=O)=C4S1 NCCN1CC(N2CCCCC2)C1 [R1]NCCN1CC(N2CCC([R2])CC2)C1 O=C1NC(CCC1N2CC3=CC([R2])=CC=C3C2=O)=O CRBN Q96SW2 [R1]C(=O)C[C@H]1C2=NN=C(N2C3=C(C(=C(S3)C)C)C(=N1)C4=CC=C(C=C4)Cl)C NCCN1CC(N2CCCCC2)C1 [R1]NCCN1CC(C1)N2CCC(CC2)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2)C3CCC(=O)NC3=O 11.2 11.2 1 linker/linker_4067.sdf warhead/warhead_119.sdf e3_ligand/e3_ligand_21.sdf 4011 P07437 Beta-tubulin Beta-tubulin TUBB COC1=CC=C(C=C1OC(CCCNC2=CC=CC(C3=O)=C2C(N3C(C4=O)CCC(N4)=O)=O)=O)/C=C\C5=CC(OC)=C(C(OC)=C5)OC COC1=CC=C(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoate W13 COC1=C(OC)C(OC)=CC(/C=C\C2=CC=C(OC)C(O[R1])=C2)=C1 O=CCCC O=C([R1])CCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OC CCCC=O [R1]C(=O)CCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 856/972 914.0 1 linker/linker_232.sdf warhead/warhead_4069.sdf e3_ligand/e3_ligand_7.sdf 4012 P07437 Beta-tubulin Beta-tubulin TUBB COC1=CC=C(C=C1OC(CCCCNC2=CC=CC(C3=O)=C2C(N3C(C4=O)CCC(N4)=O)=O)=O)/C=C\C5=CC(OC)=C(C(OC)=C5)OC COC1=CC=C(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoate W14 COC1=C(OC)C(OC)=CC(/C=C\C2=CC=C(OC)C(O[R1])=C2)=C1 O=CCCCC O=C([R1])CCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OC CCCCC=O [R1]C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35/9 22.0 1 linker/linker_443.sdf warhead/warhead_4069.sdf e3_ligand/e3_ligand_7.sdf 4013 P07437 Beta-tubulin Beta-tubulin TUBB COC1=CC=C(C=C1OC(CCCCCNC2=CC=CC(C3=O)=C2C(N3C(C4=O)CCC(N4)=O)=O)=O)/C=C\C5=CC(OC)=C(C(OC)=C5)OC COC1=CC=C(/C=C\C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC(=O)CCCCCNC1=CC=CC2=C1C(=O)N(C1CCC(=O)NC1=O)C2=O [2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] 6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoate W15 COC1=C(OC)C(OC)=CC(/C=C\C2=CC=C(OC)C(O[R1])=C2)=C1 O=CCCCCC O=C([R1])CCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C(CC3)C(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=CC(=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OC CCCCCC=O [R1]C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 165/52 108.5 1 linker/linker_255.sdf warhead/warhead_4069.sdf e3_ligand/e3_ligand_7.sdf 4014 Q9H8M2 Bromodomain-containing protein 9 BRD9 N(CCN)C1C2C(=CC(=CC=2)N2CCN(CC2)C(CCCCCOC2CCN(CC2)CC2C(=CC(=C(C=2)OC)C2C3C=CN=CC=3C(=O)N(C)C=2)OC)=O)N=C(C2(CCCCC2)C2C=CC(=CC=2)Cl)N=1 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCC(OCCCCCC(=O)N2CCN(C3=CC=C4C(NCCN)=NC(C5(C6=CC=C(Cl)C=C6)CCCCC5)=NC4=C3)CC2)CC1 4-[4-[[4-[6-[4-[4-(2-aminoethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]-6-oxohexoxy]piperidin-1-yl]methyl]-2,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one DBr-1 COC1=C(C(C2=C3C=NC=C2)=CN(C)C3=O)C=C(OC)C(CN4CCC([R1])CC4)=C1 CCCCCO [R1]OCCCCC[R2] NCCNC1=NC(C2(C3=CC=C(Cl)C=C3)CCCCC2)=NC4=CC(N5CCN(C([R2])=O)CC5)=CC=C14 DCAF1 Q9Y4B6 [R1]C1CCN(CC1)CC2=CC(=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=NC(=N3)C4(CCCCC4)C5=CC=C(C=C5)Cl)NCCN 90 90.0 1 linker/linker_1099.sdf warhead/warhead_4072.sdf e3_ligand/e3_ligand_4027.sdf 4015 Q9NPI1 Bromodomain-containing protein 7 BRD7 BP75 CELTIX1 N(CCN)C1C2C(=CC(=CC=2)N2CCN(CC2)C(CCCCCOC2CCN(CC2)CC2C(=CC(=C(C=2)OC)C2C3C=CN=CC=3C(=O)N(C)C=2)OC)=O)N=C(C2(CCCCC2)C2C=CC(=CC=2)Cl)N=1 COC1=CC(C2=CN(C)C(=O)C3=CN=CC=C23)=C(OC)C=C1CN1CCC(OCCCCCC(=O)N2CCN(C3=CC=C4C(NCCN)=NC(C5(C6=CC=C(Cl)C=C6)CCCCC5)=NC4=C3)CC2)CC1 4-[4-[[4-[6-[4-[4-(2-aminoethylamino)-2-[1-(4-chlorophenyl)cyclohexyl]quinazolin-7-yl]piperazin-1-yl]-6-oxohexoxy]piperidin-1-yl]methyl]-2,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one DBr-1 COC1=C(C(C2=C3C=NC=C2)=CN(C)C3=O)C=C(OC)C(CN4CCC([R1])CC4)=C1 CCCCCO [R1]OCCCCC[R2] NCCNC1=NC(C2(C3=CC=C(Cl)C=C3)CCCCC2)=NC4=CC(N5CCN(C([R2])=O)CC5)=CC=C14 DCAF1 Q9Y4B6 [R1]C1CCN(CC1)CC2=CC(=C(C=C2OC)C3=CN(C(=O)C4=C3C=CN=C4)C)OC CCCCCO [R1]OCCCCC[R2] [R2]C(=O)N1CCN(CC1)C2=CC3=C(C=C2)C(=NC(=N3)C4(CCCCC4)C5=CC=C(C=C5)Cl)NCCN 360 360.0 1 linker/linker_1099.sdf warhead/warhead_4072.sdf e3_ligand/e3_ligand_4027.sdf 4016 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)(C)C)NC(COCCOCCOCCOC4=NC=CC(N(C5C6)C(CC5)CN6C7=C(N)N=NC(C8=C(O)C=CC=C8)=C7)=C4)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(N4C5CCC4CN(C4=CC(C6=CC=CC=C6O)=NN=C4N)C5)=CC=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 COCCOCCOCCOC1=NC=CC=C1 [R1]C1=CC(OCCOCCOCCOC[R2])=NC=C1 O=C([C@@H](NC([R2])=O)C(C)(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O COCCOCCOCCOC1=CC=CC=N1 [R1]C1=CC(=NC=C1)OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 32 32.0 1 linker/linker_4074.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_27.sdf 4017 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)(C)C)NC(COCCOCCOCCOC4=NC=CC(N(C5C6)C(CC5)CN6C7=C(N)N=NC(C8=C(O)C=CC=C8)=C7)=C4)=O CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](NC(=O)COCCOCCOCCOC3=CC(N4C5CCC4CN(C4=CC(C6=CC=CC=C6O)=NN=C4N)C5)=CC=N3)C(C)(C)C)C=C2)SC=N1 (2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 11 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 COCCOCCOCCOC1=NC=CC=C1 [R1]C1=CC(OCCOCCOCCOC[R2])=NC=C1 O=C([C@@H](NC([R2])=O)C(C)(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O COCCOCCOCCOC1=CC=CC=N1 [R1]C1=CC(=NC=C1)OCCOCCOCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 703 703.0 1 linker/linker_4074.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_27.sdf 4018 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCOCCOCCOC5=NC=CC(N(C6C7)C(CC6)CN7C8=C(N)N=NC(C9=C(O)C=CC=C9)=C8)=C5)=NO4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCOCCOCCOC4=CC(N5C6CCC5CN(C5=CC(C7=CC=CC=C7O)=NN=C5N)C6)=CC=N4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[2-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCOCCOCCOC2=NC=CC=C2)=NOC=C1 [R1]C1=CC(OCCOCCOCCOC2=NOC([R2])=C2)=NC=C1 O=C([C@@H]([R2])C(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCOCCOCCOC2=NOC=C2)N=C1 [R1]C1=CC(=NC=C1)OCCOCCOCCOC2=NOC(=C2)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O 0.76 0.76 1 linker/linker_4076.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_4031.sdf 4019 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCOCCOCCOC5=NC=CC(N(C6C7)C(CC6)CN7C8=C(N)N=NC(C9=C(O)C=CC=C9)=C8)=C5)=NO4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCOCCOCCOC4=CC(N5C6CCC5CN(C5=CC(C7=CC=CC=C7O)=NN=C5N)C6)=CC=N4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[2-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 12 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCOCCOCCOC2=NC=CC=C2)=NOC=C1 [R1]C1=CC(OCCOCCOCCOC2=NOC([R2])=C2)=NC=C1 O=C([C@@H]([R2])C(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCOCCOCCOC2=NOC=C2)N=C1 [R1]C1=CC(=NC=C1)OCCOCCOCCOC2=NOC(=C2)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O 5.9 5.9 1 linker/linker_4076.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_4031.sdf 4020 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCN2CCN(CCOC3=NOC=C3)CC2)=NC=CC=C1 [R1]C1=CC(OCCN2CCN(CCOC3=NOC([R2])=C3)CC2)=NC=C1 O=C([C@@H]([R2])C(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CCOC3=NOC=C3)CC2)N=C1 [R1]C1=CC(=NC=C1)OCCN2CCN(CC2)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O 0.39 0.39 1 linker/linker_4078.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_4031.sdf 4021 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide 13 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCN2CCN(CCOC3=NOC=C3)CC2)=NC=CC=C1 [R1]C1=CC(OCCN2CCN(CCOC3=NOC([R2])=C3)CC2)=NC=C1 O=C([C@@H]([R2])C(C)C)N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CCOC3=NOC=C3)CC2)N=C1 [R1]C1=CC(=NC=C1)OCCN2CCN(CC2)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O 9.5 9.5 1 linker/linker_4078.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_4031.sdf 4022 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCN2CCN(CCOC3=NOC=C3)CC2)=NC=CC=C1 [R1]C1=CC(OCCN2CCN(CCOC3=NOC([R2])=C3)CC2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CCOC3=NOC=C3)CC2)N=C1 [R1]C1=CC(=NC=C1)OCCN2CCN(CC2)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.068 0.068 1 linker/linker_4078.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4023 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 14 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OCCN2CCN(CCOC3=NOC=C3)CC2)=NC=CC=C1 [R1]C1=CC(OCCN2CCN(CCOC3=NOC([R2])=C3)CC2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OCCN2CCN(CCOC3=NOC=C3)CC2)N=C1 [R1]C1=CC(=NC=C1)OCCN2CCN(CC2)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 1.5 1.5 1 linker/linker_4078.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4024 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)C[C@@H](C)N5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)[C@H](C)C4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[(3R)-4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]-3-methylpiperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C[C@H](CN(CCOC1=NOC=C1)CC2)N2CCOC3=NC=CC=C3 C[C@H](CN(CCOC1=NOC([R2])=C1)CC2)N2CCOC3=NC=CC([R1])=C3 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C[C@@H]1CN(CCOC2=NOC=C2)CCN1CCOC1=CC=CC=N1 [R1]C1=CC(=NC=C1)OCCN2CCN(C[C@H]2C)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.055 0.055 1 linker/linker_4082.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4025 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)C[C@@H](C)N5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)[C@H](C)C4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[(3R)-4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]-3-methylpiperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 15 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C[C@H](CN(CCOC1=NOC=C1)CC2)N2CCOC3=NC=CC=C3 C[C@H](CN(CCOC1=NOC([R2])=C1)CC2)N2CCOC3=NC=CC([R1])=C3 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C[C@@H]1CN(CCOC2=NOC=C2)CCN1CCOC1=CC=CC=N1 [R1]C1=CC(=NC=C1)OCCN2CCN(C[C@H]2C)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.71 0.71 1 linker/linker_4082.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4026 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)[C@@H](C)CN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)C[C@@H]4C)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[(2S)-4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]-2-methylpiperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C[C@H]1CN(CCN1CCOC2=NOC=C2)CCOC3=NC=CC=C3 C[C@H]1CN(CCN1CCOC2=NOC([R2])=C2)CCOC3=NC=CC([R1])=C3 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C[C@H]1CN(CCOC2=CC=CC=N2)CCN1CCOC1=NOC=C1 [R1]C1=CC(=NC=C1)OCCN2CCN([C@H](C2)C)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.11 0.11 1 linker/linker_4084.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4027 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)[C@@H](C)CN5CCOC6=NC=CC(N(C7C8)C(CC7)CN8C9=C(N)N=NC(C%10=C(O)C=CC=C%10)=C9)=C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCN(CCOC5=CC(N6C7CCC6CN(C6=CC(C8=CC=CC=C8O)=NN=C6N)C7)=CC=N5)C[C@@H]4C)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[(2S)-4-[2-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxyethyl]-2-methylpiperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 16 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C[C@H]1CN(CCN1CCOC2=NOC=C2)CCOC3=NC=CC=C3 C[C@H]1CN(CCN1CCOC2=NOC([R2])=C2)CCOC3=NC=CC([R1])=C3 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C[C@H]1CN(CCOC2=CC=CC=N2)CCN1CCOC1=NOC=C1 [R1]C1=CC(=NC=C1)OCCN2CCN([C@H](C2)C)CCOC3=NOC(=C3)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 2.7 2.7 1 linker/linker_4084.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4028 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCC5O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CCOC4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CCOC4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CCOC4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CCOC4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.093 0.093 1 linker/linker_4086.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4029 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCCN(CC5)CCC5O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCCN4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 17 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CCOC4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CCOC4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CCOC4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CCOC4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 4.9 4.9 1 linker/linker_4086.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4030 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N(CC5)CCN5CCN(CC6)CCC6O[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CCN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[2-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 18 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CCN4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CCN4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CCN4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CCN4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.085 0.085 1 linker/linker_4088.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4031 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N(CC5)CCN5CCN(CC6)CCC6O[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CCN5CCC(O[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[2-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 18 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(CCN4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(CCN4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(CCN4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)CCN4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 3.2 3.2 1 linker/linker_4088.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4032 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N(CC5)CCN5CC(CC6)CCN6C[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CC5CCN(C[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[1-[[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 20 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](CN3CCC(CN4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](CN3CCC(CN4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](CN3CCC(CN4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)CN3CCC(CC3)CN4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.062 0.062 1 linker/linker_4090.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4033 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N(CC5)CCN5CC(CC6)CCN6C[C@H]7C[C@H](OC8=NC=CC(N(C9C%10)C(CC9)CN%10C%11=C(N)N=NC(C%12=C(O)C=CC=C%12)=C%11)=C8)C7)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(CC5CCN(C[C@H]6C[C@H](OC7=CC(N8C9CCC8CN(C8=CC(C%10=CC=CC=C%10O)=NN=C8N)C9)=CC=N7)C6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[1-[[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 20 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](CN3CCC(CN4CCN(C5=NOC=C5)CC4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](CN3CCC(CN4CCN(C5=NOC([R2])=C5)CC4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](CN3CCC(CN4CCN(C5=NOC=C5)CC4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)CN3CCC(CC3)CN4CCN(CC4)C5=NOC(=C5)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 1.4 1.4 1 linker/linker_4090.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4034 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 21 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(C4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(C4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(C4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.14 0.14 1 linker/linker_4092.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4035 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 21 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3CCN(C4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3CCN(C4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](OC3CCN(C4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 1.8 1.8 1 linker/linker_4092.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4036 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCN(C[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(C[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]methyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 22 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](CN3CCN(C4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](CN3CCN(C4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](CN3CCN(C4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)CN3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.09 0.09 1 linker/linker_4094.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4037 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCN(C[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCN(C[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]methyl]piperazin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 22 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](CN3CCN(C4=NOC=C4)CC3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](CN3CCN(C4=NOC([R2])=C4)CC3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(O[C@H]2C[C@H](CN3CCN(C4=NOC=C4)CC3)C2)N=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)CN3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 1.3 1.3 1 linker/linker_4094.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4038 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(CN(CC6)CCC6OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OC2CCN(CC3CCN(C4=NOC=C4)CC3)CC2)=NC=CC=C1 [R1]C1=CC(OC2CCN(CC3CCN(C4=NOC([R2])=C4)CC3)CC2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OC2CCN(CC3CCN(C4=NOC=C4)CC3)CC2)N=C1 [R1]C1=CC(=NC=C1)OC2CCN(CC2)CC3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.053 0.053 1 linker/linker_4096.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4039 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(N5CCC(CN(CC6)CCC6OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)CC5)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(N4CCC(CN5CCC(OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)CC5)CC4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[4-[[4-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxypiperidin-1-yl]methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 23 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(OC2CCN(CC3CCN(C4=NOC=C4)CC3)CC2)=NC=CC=C1 [R1]C1=CC(OC2CCN(CC3CCN(C4=NOC([R2])=C4)CC3)CC2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C1=CC=C(OC2CCN(CC3CCN(C4=NOC=C4)CC3)CC2)N=C1 [R1]C1=CC(=NC=C1)OC2CCN(CC2)CC3CCN(CC3)C4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.99 0.99 1 linker/linker_4096.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4040 P51531 Probable global transcription activator SNF2L2 SMARCA2 BAF190B BRM O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCC#CC(C=C5)=NC=C5O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCC#CC4=CC=C(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)C=N4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[3-[5-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypyridin-2-yl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3=CN=C(C#CCOC4=NOC=C4)C=C3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3=CN=C(C#CCOC4=NOC([R2])=C4)C=C3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C(#CC1=CC=C(O[C@H]2C[C@H](OC3=CC=CC=N3)C2)C=N1)COC1=NOC=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3=CN=C(C=C3)C#CCOC4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 0.27 0.27 1 linker/linker_4098.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4041 P51532 Transcription activator BRG1 SMARCA4 BAF190A BRG1 O=C(N1[C@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)C)C4=CC(OCC#CC(C=C5)=NC=C5O[C@H]6C[C@H](OC7=NC=CC(N(C8C9)C(CC8)CN9C%10=C(N)N=NC(C%11=C(O)C=CC=C%11)=C%10)=C7)C6)=NO4 CC1=C(C2=CC=C([C@H](C)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](C3=CC(OCC#CC4=CC=C(O[C@H]5C[C@H](OC6=CC(N7C8CCC7CN(C7=CC(C9=CC=CC=C9O)=NN=C7N)C8)=CC=N6)C5)C=N4)=NO3)C(C)C)C=C2)SC=N1 (2S,4R)-1-[(2R)-2-[3-[3-[5-[3-[4-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypyridin-2-yl]prop-2-ynoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 24 NC(N=NC(C1=C(C=CC=C1)O)=C2)=C2N3CC(CC4)N([R1])C4C3 C1(O[C@@H]2C[C@@H](OC3=CN=C(C#CCOC4=NOC=C4)C=C3)C2)=NC=CC=C1 [R1]C1=CC(O[C@@H]2C[C@@H](OC3=CN=C(C#CCOC4=NOC([R2])=C4)C=C3)C2)=NC=C1 CC([C@H]([R2])C(N1C[C@@H](C[C@H]1C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)O)=O)C VHL P40337 [R1]N1C2CCC1CN(C2)C3=CC(=NN=C3N)C4=CC=CC=C4O C(#CC1=CC=C(O[C@H]2C[C@H](OC3=CC=CC=N3)C2)C=N1)COC1=NOC=C1 [R1]C1=CC(=NC=C1)O[C@H]2C[C@@H](C2)OC3=CN=C(C=C3)C#CCOC4=NOC(=C4)[R2] [R2][C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O 5.1 5.1 1 linker/linker_4098.sdf warhead/warhead_1988.sdf e3_ligand/e3_ligand_3391.sdf 4042 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN(CC3)CCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)=O)C7=CC=CC=C27)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCC [R1]CCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCC [R1]CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/>50000/>50000 50000.0 0 linker/linker_10.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4043 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN(CC3)CCCCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)=O)C7=CC=CC=C27)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P2 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCCC [R1]CCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/>50000/>50000 50000.0 0 linker/linker_2.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4044 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN(CC3)CCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)=O)C7=CC=CC=C27)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-8-oxooctyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P3 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCCCCC [R1]CCCCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 29240/32270/39070 33526.666666666664 0 linker/linker_13.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4045 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN(CC3)CCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)=O)C7=CC=CC=C27)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[10-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-10-oxodecyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P4 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCCCCCCC [R1]CCCCCCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCCCCCC [R1]CCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 4480/1400/4150 3343.333333333333 0 linker/linker_34.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4046 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN(CC3)CCCCCCCCCCCC(N[C@@H](C(C)(C)C)C(N4[C@@H](C[C@H](C4)O)C(NCC5=CC=C(C=C5)C6=C(C)N=CS6)=O)=O)=O)C7=CC=CC=C27)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCCCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[12-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-12-oxododecyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P5 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCCCCCCCC [R1]CCCCCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 10810/4790/10750 8783.333333333334 0 linker/linker_36.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4047 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)(C)C)NC(CCCNC(CCCN4CCC(CC4)CN5C(C)=C(C6=CC=CC=C56)C(NCC7=C(OC)C=C(NC7=O)C)=O)=O)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[4-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]amino]-4-oxobutyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P6 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCNC(CCC)=O O=C(CCC[R1])NCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCNC(=O)CCC [R1]CCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/>50000/>50000 50000.0 0 linker/linker_1613.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4048 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)(C)C)NC(CCCNC(CCCCCN4CCC(CC4)CN5C(C)=C(C6=CC=CC=C56)C(NCC7=C(OC)C=C(NC7=O)C)=O)=O)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[6-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]amino]-6-oxohexyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P7 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCNC(CCCCC)=O O=C(CCCCC[R1])NCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCCC(=O)NCCC [R1]CCCCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/>50000/>50000 50000.0 0 linker/linker_3566.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4049 Q15910 Enhancer of zeste homolog 2 EZH2 KMT6 ENX-1 O=C(N1[C@H](C(NCC2=CC=C(C3=C(N=CS3)C)C=C2)=O)C[C@@H](O)C1)[C@H](C(C)(C)C)NC(CCCNC(CCCCCCCN4CCC(CC4)CN5C(C)=C(C6=CC=CC=C56)C(NCC7=C(OC)C=C(NC7=O)C)=O)=O)=O COC1=C(CNC(=O)C2=C(C)N(CC3CCN(CCCCCCCC(=O)NCCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)CC3)C3=CC=CC=C23)C(=O)[NH]C(C)=C1 1-[[1-[8-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]amino]-8-oxooctyl]piperidin-4-yl]methyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide P8 CC1=CC(OC)=C(C(N1)=O)CNC(C2=C(C)N(CC3CCN([R1])CC3)C4=CC=CC=C24)=O CCCNC(CCCCCCC)=O O=C(CCCCCCC[R1])NCCC[R2] CC(N=CS1)=C1C(C=C2)=CC=C2CNC([C@H](C[C@H](C3)O)N3C([C@H](C(C)(C)C)NC([R2])=O)=O)=O VHL P40337 [R1]N1CCC(CC1)CN2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C CCCCCCCC(=O)NCCC [R1]CCCCCCCC(=O)NCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C >50000/>50000/>50000 50000.0 0 linker/linker_4107.sdf warhead/warhead_4100.sdf e3_ligand/e3_ligand_27.sdf 4050 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 O=C1C2C=CC=C(C=2C(=O)N1C1CCC(=O)NC1=O)N1CCN(CC1)C(C1=CN(CC2=CC=C(C=C2)S(F)(=O)=O)N=N1)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carbonyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C0 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O O=CN1CCNCC1 O=C([R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F O=CN1CCNCC1 [R1]C(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_3573.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4051 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C(=CC=CC=2C1=O)N1CCN(CC1)C(CC1=CN(CC2=CC=C(C=C2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-2-oxoethyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C1 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CC(N1CCNCC1)=O O=C(C[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CC(=O)N1CCNCC1 [R1]CC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O <100 100.0 1 linker/linker_2414.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4052 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3-oxopropyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C2 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCC(N1CCNCC1)=O O=C(CC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCC(=O)N1CCNCC1 [R1]CCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_4110.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4053 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-4-oxobutyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C3 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCC(N1CCNCC1)=O O=C(CCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCC(=O)N1CCNCC1 [R1]CCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 100 100.0 1 linker/linker_1993.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4054 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-5-oxopentyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C4 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCCC(N1CCNCC1)=O O=C(CCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCCC(=O)N1CCNCC1 [R1]CCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 3480 3480.0 0 linker/linker_3448.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4055 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-6-oxohexyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C5 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCCCC(N1CCNCC1)=O O=C(CCCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCCCC(=O)N1CCNCC1 [R1]CCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 250 250.0 1 linker/linker_4113.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4056 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-7-oxoheptyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C6 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCCCCC(N1CCNCC1)=O O=C(CCCCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCCCCC(=O)N1CCNCC1 [R1]CCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 320 320.0 1 linker/linker_3449.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4057 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCCCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[8-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-8-oxooctyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C7 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCCCCCC(N1CCNCC1)=O O=C(CCCCCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCCCCCC(=O)N1CCNCC1 [R1]CCCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >100000 100000.0 0 linker/linker_2293.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4058 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCCCCCC1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCCCCCC5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[9-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-9-oxononyl]triazol-1-yl]methyl]benzenesulfonyl fluoride C8 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CCCCCCCCC(N1CCNCC1)=O O=C(CCCCCCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CCCCCCCCC(=O)N1CCNCC1 [R1]CCCCCCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 130 130.0 1 linker/linker_3453.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4059 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(C(C2C=CC(C3=CN(CC4=CC=C(C=C4)S(=O)(=O)F)N=N3)=CC=2)=O)CC1)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=C(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)C=C5)CC4)=C3C2=O)C(=O)N1 4-[[4-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carbonyl]phenyl]triazol-1-yl]methyl]benzenesulfonyl fluoride P1 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O O=C(C1=CC=CC=C1)N2CCNCC2 O=C(C1=CC=C([R1])C=C1)N2CCN([R2])CC2 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F O=C(C1=CC=CC=C1)N1CCNCC1 [R1]C1=CC=C(C=C1)C(=O)N2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_4117.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4060 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 O=C1C2C=CC=C(C=2C(=O)N1C1C(NC(CC1)=O)=O)N1CCN(CC1)C(C1=CC(=CC=C1)C1=CN(CC2C=CC(=CC=2)S(=O)(=O)F)N=N1)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=CC(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)=C5)CC4)=C3C2=O)C(=O)N1 4-[[4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carbonyl]phenyl]triazol-1-yl]methyl]benzenesulfonyl fluoride P2 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O O=C(C1=CC=CC=C1)N2CCNCC2 O=C(C1=CC([R1])=CC=C1)N2CCN([R2])CC2 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F O=C(C1=CC=CC=C1)N1CCNCC1 [R1]C1=CC(=CC=C1)C(=O)N2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_4117.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4061 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(CCC(C1=O)N1C(C2=C(C=CC=C2N2CCN(CC2)C(C2=CC=CC=C2C2=CN(CC3=CC=C(C=C3)S(F)(=O)=O)N=N2)=O)C1=O)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)C5=CC=CC=C5C5=CN(CC6=CC=C(S(=O)(=O)F)C=C6)N=N5)CC4)=C3C2=O)C(=O)N1 4-[[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazine-1-carbonyl]phenyl]triazol-1-yl]methyl]benzenesulfonyl fluoride P3 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O O=C(C1=CC=CC=C1)N2CCNCC2 O=C(C1=CC=CC=C1[R1])N2CCN([R2])CC2 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F O=C(C1=CC=CC=C1)N1CCNCC1 [R1]C1=CC=CC=C1C(=O)N2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_4117.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4062 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(CCC(C1=O)N1C(C2C(=CC=CC=2C1=O)N1CCN(CC1)C(C(CC1=CN(CC2=CC=C(C=C2)S(=O)(=O)F)N=N1)N)=O)=O)=O NC(CC1=CN(CC2=CC=C(S(=O)(=O)F)C=C2)N=N1)C(=O)N1CCN(C2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 4-[[4-[2-amino-3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3-oxopropyl]triazol-1-yl]methyl]benzenesulfonyl fluoride P4 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O CC(N)C(N1CCNCC1)=O NC(C[R1])C(N1CCN([R2])CC1)=O O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F CC(N)C(=O)N1CCNCC1 [R1]CC(C(=O)N1CCN(CC1)[R2])N [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O >5000 5000.0 0 linker/linker_4120.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4063 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N(CCC(=O)N1CCN(CC1)C1=CC=CC2=C1C(=O)N(C2=O)C1C(=O)NC(CC1)=O)C(C1=CC=C(C=C1)C1=CN(CC2C=CC(=CC=2)S(F)(=O)=O)N=N1)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCNC(=O)C5=CC=C(C6=CN(CC7=CC=C(S(=O)(=O)F)C=C7)N=N6)C=C5)CC4)=C3C2=O)C(=O)N1 4-[[4-[4-[[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-3-oxopropyl]carbamoyl]phenyl]triazol-1-yl]methyl]benzenesulfonyl fluoride P5 FS(C(C=C1)=CC=C1CN2C=C([R1])N=N2)(=O)=O O=C(N1CCNCC1)CCNC(C2=CC=CC=C2)=O O=C(N1CCN([R2])CC1)CCNC(C2=CC=C([R1])C=C2)=O O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC2=CC=C(C=C2)S(=O)(=O)F O=C(NCCC(=O)N1CCNCC1)C1=CC=CC=C1 [R1]C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1000 1000.0 0 linker/linker_4121.sdf warhead/warhead_4108.sdf e3_ligand/e3_ligand_16.sdf 4064 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 N1C(C(CCC1=O)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC2CCN(CC3=CC=C(C=C3)S(F)(=O)=O)CC2)CC1)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(CC5CCN(CC6=CC=C(S(=O)(=O)F)C=C6)CC5)CC4)=C3C2=O)C(=O)N1 4-[[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]methyl]benzenesulfonyl fluoride P7 FS(C(C=C1)=CC=C1CN2CCC([R1])CC2)(=O)=O CN1CCNCC1 [R1]CN1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1CCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)F CN1CCNCC1 [R1]CN1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1000 1000.0 0 linker/linker_1200.sdf warhead/warhead_4122.sdf e3_ligand/e3_ligand_16.sdf 4065 O75608 Acyl-protein thioesterase 1 APT1 LPL1 LYPLA1 O=C1CCC(C(=O)N1)N1C(C2C=CC=C(C=2C1=O)N1CCN(CC1)C(CCCCC1=CN(CC(=O)N2CCN(CC2)C(C2=CC=CO2)=O)N=N1)=O)=O O=C1CCC(N2C(=O)C3=CC=CC(N4CCN(C(=O)CCCCC5=CN(CC(=O)N6CCN(C(=O)C7=CC=CO7)CC6)N=N5)CC4)=C3C2=O)C(=O)N1 2-(2,6-dioxopiperidin-3-yl)-4-[4-[5-[1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]triazol-4-yl]pentanoyl]piperazin-1-yl]isoindole-1,3-dione P8 O=C(N1CCN(C(C2=CC=CO2)=O)CC1)CN3C=C([R1])N=N3 CCCCC(N1CCNCC1)=O O=C(CCCC[R1])N1CCN([R2])CC1 O=C1C2=C(C(N1C3CCC(NC3=O)=O)=O)C([R2])=CC=C2 CRBN Q96SW2 [R1]C1=CN(N=N1)CC(=O)N2CCN(CC2)C(=O)C3=CC=CO3 CCCCC(=O)N1CCNCC1 [R1]CCCCC(=O)N1CCN(CC1)[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 5000 5000.0 0 linker/linker_3448.sdf warhead/warhead_4123.sdf e3_ligand/e3_ligand_16.sdf 4066 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[5-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]pentanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8a FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCCC [R1]CCCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCC [R1]CCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1014 1014.0 0 linker/linker_7.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4067 P01116 GTPase Kras G12D KRAS G12D FC1=C(N=C(OC[C@H]2N(CCCCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CCC2)N=C6N7C[C@H]8N[C@H](CC8)C7)C6=CN=C1C9=C(C(CC)=CC=C%10)C%10=CC(O)=C9 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[6-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]hexanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8b FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCCCC [R1]CCCCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCC [R1]CCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1204 1204.0 0 linker/linker_2.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4068 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[7-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]heptanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8c FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCCCCC [R1]CCCCCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCCC [R1]CCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 571.9 571.9 1 linker/linker_12.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4069 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCCCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[8-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]octanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8d FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCCCCCC [R1]CCCCCCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCCCC [R1]CCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 226.3 226.3 1 linker/linker_13.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4070 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCCCCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[9-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]nonanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8e FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCCCCCCC [R1]CCCCCCCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCCCCC [R1]CCCCCCCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 165 165.0 1 linker/linker_33.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4071 P01116 GTPase Kras G12D KRAS G12D FC1=C(N=C(OC[C@H]2N(CCOCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CCC2)N=C6N7C[C@H]8N[C@H](CC8)C7)C6=CN=C1C9=C(C(CC)=CC=C%10)C%10=CC(O)=C9 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[3-[2-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8f FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCOCC [R1]CCOCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCOCC [R1]CCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1822 1822.0 0 linker/linker_14.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4072 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCOCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8g FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCOCCC [R1]CCCOCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCOCC [R1]CCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 131.6 131.6 1 linker/linker_92.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4073 P01116 GTPase Kras G12D KRAS G12D FC1=C(N=C(OC[C@H]2N(CCCCOCCC(N[C@@H](C(C)(C)C)C(N3C[C@H](O)C[C@H]3C(N[C@@H](C)C4=CC=C(C5=C(C)N=CS5)C=C4)=O)=O)=O)CCC2)N=C6N7C[C@H]8N[C@H](CC8)C7)C6=CN=C1C9=C(C(CC)=CC=C%10)C%10=CC(O)=C9 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[3-[4-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8h FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCOCCCC [R1]CCCCOCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCOCC [R1]CCCCOCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 1310 1310.0 0 linker/linker_994.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4074 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(COCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[[2-[4-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8i FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 COCCCC [R1]CCCCOC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 164.4 164.4 1 linker/linker_3008.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4075 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(CCNC(CCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=CC=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)=O)C1 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCC(=O)NCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[3-[3-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]propanoylamino]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8j FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CCNC(CC)=O O=C(CC[R1])NCC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CCNC(=O)CC [R1]CCC(=O)NCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 3813 3813.0 0 linker/linker_590.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4076 P01116 GTPase Kras G12D KRAS G12D FC1=C(N=C(OC[C@H]2N(C3CC4(CCN(CC(N[C@@H](C(C)(C)C)C(N5C[C@H](O)C[C@H]5C(N[C@@H](C)C6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)CC4)C3)CCC2)N=C8N9C[C@H]%10N[C@H](CC%10)C9)C8=CN=C1C%11=C(C(CC)=CC=C%12)C%12=CC(O)=C%11 CCC1=CC=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5C5CC6(CCN(CC(=O)N[C@H](C(=O)N7C[C@H](O)C[C@H]7C(=O)N[C@@H](C)C7=CC=C(C8=C(C)N=CS8)C=C7)C(C)(C)C)CC6)C5)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[[2-[2-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8m FC(C(C1=C2C(CC)=CC=CC2=CC(O)=C1)=NC=C3C(N4C[C@H]5N[C@@H](C4)CC5)=N6)=C3N=C6OC[C@H]7N([R1])CCC7 CN(CC1)CCC21CCC2 [R1]C1CC2(C1)CCN(CC2)C[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC=C7CC)F CN1CCC2(CCC2)CC1 [R1]C1CC2(C1)CCN(CC2)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 133.8 133.8 1 linker/linker_4134.sdf warhead/warhead_4124.sdf e3_ligand/e3_ligand_23.sdf 4077 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(COCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=C(F)C=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 CCC1=C(F)C=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[[2-[4-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8o [R1]N1[C@@H](CCC1)COC2=NC3=C(C(C4=C5C(CC)=C(C=CC5=CC(O)=C4)F)=NC=C3C(N6C[C@H]7N[C@@H](C6)CC7)=N2)F COCCCC [R1]CCCCOC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC(=C7CC)F)F CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 38.06 38.06 1 linker/linker_3008.sdf warhead/warhead_4135.sdf e3_ligand/e3_ligand_23.sdf 4078 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(COCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(C#C)=C(F)C=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)CCC4)=O)=O)C1 C#CC1=C(F)C=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5CCCN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[[2-[4-[(2S)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-1-yl]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8p [R1]N1[C@@H](CCC1)COC2=NC3=C(C(C4=C5C(C#C)=C(C=CC5=CC(O)=C4)F)=NC=C3C(N6C[C@H]7N[C@@H](C6)CC7)=N2)F COCCCC [R1]CCCCOC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1CCC[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC(=C7C#C)F)F CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 115.9 115.9 1 linker/linker_3008.sdf warhead/warhead_4136.sdf e3_ligand/e3_ligand_23.sdf 4079 P01116 GTPase Kras G12D KRAS G12D O[C@@H]1C[C@@H](C(N[C@@H](C)C2=CC=C(C3=C(C)N=CS3)C=C2)=O)N(C([C@H](C(C)(C)C)NC(COCCCCN4[C@H](COC5=NC6=C(F)C(C7=C(C(CC)=C(F)C=C8)C8=CC(O)=C7)=NC=C6C(N9C[C@H]%10N[C@H](CC%10)C9)=N5)C[C@@H](F)C4)=O)=O)C1 CCC1=C(F)C=CC2=CC(O)=CC(C3=NC=C4C(N5C[C@@H]6CC[C@H](C5)N6)=NC(OC[C@@H]5C[C@@H](F)CN5CCCCOCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)C5=CC=C(C6=C(C)N=CS6)C=C5)C(C)(C)C)=NC4=C3F)=C12 (2S,4R)-1-[(2S)-2-[[2-[4-[(2S,4R)-2-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-4-fluoropyrrolidin-1-yl]butoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide 8q [R1]N1[C@@H](C[C@H](C1)F)COC2=NC3=C(C(C4=C5C(CC)=C(C=CC5=CC(O)=C4)F)=NC=C3C(N6C[C@H]7N[C@@H](C6)CC7)=N2)F COCCCC [R1]CCCCOC[R2] O[C@@H]1C[C@H](N(C1)C([C@@H](NC([R2])=O)C(C)(C)C)=O)C(N[C@H](C2=CC=C(C=C2)C3=C(N=CS3)C)C)=O VHL P40337 [R1]N1C[C@@H](C[C@H]1COC2=NC3=C(C(=NC=C3C(=N2)N4C[C@H]5CC[C@@H](C4)N5)C6=C7C(=CC(=C6)O)C=CC(=C7CC)F)F)F CCCCOC [R1]CCCCOC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C)C2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 87.2 87.2 1 linker/linker_3008.sdf warhead/warhead_4137.sdf e3_ligand/e3_ligand_23.sdf 4080 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylpropanamide 1 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CC O=C(N(CC1(C[R1])CC1)C)CC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2886 2886.0 0 linker/linker_4138.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4081 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylpentanamide 2 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCC O=C(N(CC1(C[R1])CC1)C)CCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 86 86.0 1 linker/linker_4139.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4082 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylhexanamide 3 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCC O=C(N(CC1(C[R1])CC1)C)CCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 334 334.0 1 linker/linker_4140.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4083 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 4 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 13 5 13.0 5.0 1 linker/linker_4141.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4084 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(COCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)COCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-N-methylacetamide 5 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(COCC)=O CN(CC1(C[R1])CC1)C(COCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCOCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)COCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1382 1382.0 0 linker/linker_4142.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4085 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-N-methylpropanamide 6 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCOCC)=O CN(CC1(C[R1])CC1)C(CCOCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCOCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 1663 1663.0 0 linker/linker_4143.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4086 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCOCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-N-methylpropanamide 7 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCOCCOCC)=O CN(CC1(C[R1])CC1)C(CCOCCOCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCOCCOCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCOCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 421 421.0 1 linker/linker_4144.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4087 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(COCCCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)COCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butoxy]-N-methylacetamide 8 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(COCCCC)=O CN(CC1(C[R1])CC1)C(COCCCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCOCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)COCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 114 114.0 1 linker/linker_4145.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4088 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCOC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCOC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-methylheptanamide 9 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCCO)=O O=C(N(C)CC1(C[R1])CC1)CCCCCCO[R2] O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCCCCO [R1]CC1(CC1)CN(C)C(=O)CCCCCCO[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 75 75.0 1 linker/linker_4146.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_16.sdf 4089 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCOCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCOCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]-N-methylbutanamide 10 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCOCC)=O CN(CC1(C[R1])CC1)C(CCCOCC[R2])=O O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCOCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCOCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 70 70.0 1 linker/linker_4147.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4090 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCC#CC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCC#CC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-N-methyloct-7-ynamide 11 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCC#C)=O CN(CC1(C[R1])CC1)C(CCCCCC#C[R2])=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC C#CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 591 591.0 1 linker/linker_4148.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_16.sdf 4091 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCOCCC#CC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCOCCC#CC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]but-3-ynoxy]-N-methylpropanamide 12 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCOCCC#C)=O CN(CC1(C[R1])CC1)C(CCOCCC#C[R2])=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC([R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC C#CCCOCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCOCCC#C[R2] [R2]C1=C2C(=CC=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1137 1137.0 0 linker/linker_4149.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_16.sdf 4092 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(difluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 13 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)C(F)F)N)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 45 16 45.0 16.0 1 linker/linker_4141.sdf warhead/warhead_4150.sdf e3_ligand/e3_ligand_7.sdf 4093 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC=CC(C(F)F)=C3F)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)F)=C3F)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 14 COC1=CC2=C(C(N[C@H](C)C3=CC=CC(C(F)F)=C3F)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC=CC(=C3F)C(F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 540 216 540.0 216.0 1 linker/linker_4141.sdf warhead/warhead_4151.sdf e3_ligand/e3_ligand_7.sdf 4094 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)C(C)(O)C)=C3)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)C(C)(C)O)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(1,1-difluoro-2-hydroxy-2-methylpropyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 15 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)C(O)(C)C)=C3)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(C(C)(C)O)(F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 220 220.0 1 linker/linker_4141.sdf warhead/warhead_4152.sdf e3_ligand/e3_ligand_7.sdf 4095 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC=CC(C(F)(F)C(C)(O)C)=C3F)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC(C(N6C7CCC(NC7=O)=O)=O)=C5C6=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C(F)(F)C(C)(C)O)=C3F)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 16 COC1=CC2=C(C(N[C@H](C)C3=CC=CC(C(F)(F)C(O)(C)C)=C3F)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=C(C(=CC=C3)C(C(C)(C)O)(F)F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 358 358.0 1 linker/linker_4141.sdf warhead/warhead_4153.sdf e3_ligand/e3_ligand_7.sdf 4096 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC=CC(C#N)=C3C)=N1)C=C(OCC4(CC4)CN(C)C(CCCCCCNC5=CC=CC6=C5C(N(C7CCC(NC7=O)=O)C6=O)=O)=O)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC=CC(C#N)=C3C)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-(3-cyano-2-methylphenyl)ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 17 COC1=CC2=C(C(N[C@H](C)C3=CC=CC(C#N)=C3C)=NC(C)=N2)C=C1O[R1] O=C(N(CC1(C)CC1)C)CCCCCC O=C(N(CC1(C[R1])CC1)C)CCCCCC[R2] O=C(C1=C2C=CC=C1N[R2])N(C3C(NC(CC3)=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC=CC(=C3C)C#N)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 2048 2048.0 0 linker/linker_4141.sdf warhead/warhead_4154.sdf e3_ligand/e3_ligand_7.sdf 4097 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-N-methylheptanamide 18 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCCN)=O CN(CC1(C[R1])CC1)C(CCCCCCN[R2])=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCCCCN [R1]CC1(CC1)CN(C)C(=O)CCCCCCN[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 799 799.0 1 linker/linker_4155.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4098 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=C(CN(C6C(NC(CC6)=O)=O)C7=O)C7=CC=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=CC3=C2CN(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-N-methylheptanamide 19 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCC)=O CN(CC1(C[R1])CC1)C(CCCCCC[R2])=O O=C1C2=CC=CC(N[R2])=C2CN1C3CCC(NC3=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=CC=CC2=C1CN(C2=O)C3CCC(=O)NC3=O 151 47 151.0 47.0 1 linker/linker_4141.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_17.sdf 4099 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=C5F)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=C(F)C=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-5-fluoro-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 20 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCCN)=O CN(CC1(C[R1])CC1)C(CCCCCCN[R2])=O FC1=CC=C(C2=C1[R2])C(N(C2=O)C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCCCCN [R1]CC1(CC1)CN(C)C(=O)CCCCCCN[R2] [R2]C1=C(C=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O)F 63 63.0 1 linker/linker_4155.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_4112.sdf 4100 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=CC=C6C(C(N(C7C(NC(CC7)=O)=O)C6=O)=O)=C5F)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C3C(=O)N(C4CCC(=O)NC4=O)C(=O)C3=C2F)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-4-fluoro-1,3-dioxoisoindol-5-yl]amino]-N-methylheptanamide 21 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCCN)=O CN(CC1(C[R1])CC1)C(CCCCCCN[R2])=O FC1=C2C(N(C3CCC(NC3=O)=O)C(C2=CC=C1[R2])=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCCCCN [R1]CC1(CC1)CN(C)C(=O)CCCCCCN[R2] [R2]C1=C(C2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O)F 4179 4179.0 0 linker/linker_4155.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_4113.sdf 4101 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=C(F)C=C5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=CC=C(F)C3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-7-fluoro-1,3-dioxoisoindol-4-yl]amino]-N-methylheptanamide 22 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCCN)=O CN(CC1(C[R1])CC1)C(CCCCCCN[R2])=O FC(C=CC([R2])=C1C2=O)=C1C(N2C3CCC(NC3=O)=O)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCCCCN [R1]CC1(CC1)CN(C)C(=O)CCCCCCN[R2] [R2]C1=C2C(=C(C=C1)F)C(=O)N(C2=O)C3CCC(=O)NC3=O 63 23 63.0 23.0 1 linker/linker_4155.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_4114.sdf 4102 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCCCCNC5=C(C(N(C6C(NC(CC6)=O)=O)C7=O)=O)C7=CC=N5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCCCCNC2=NC=CC3=C2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxopyrrolo[3,4-c]pyridin-4-yl]amino]-N-methylheptanamide 23 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCCCC)=O CN(CC1(C[R1])CC1)C(CCCCCC[R2])=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=NC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCCCCCC(=O)N(C)CC1(C)CC1 [R1]CC1(CC1)CN(C)C(=O)CCCCCC[R2] [R2]NC1=NC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 318 318.0 1 linker/linker_4141.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_4115.sdf 4103 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(C5CCN(CCNC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(CCNC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-N-methylpiperidine-4-carboxamide 24 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(C2CCN(CC2)CC)=O CN(CC1(C[R1])CC1)C(C2CCN(CC2)CC[R2])=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CCN1CCC(C(=O)N(C)CC2(C)CC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)CC[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 44 18 44.0 18.0 1 linker/linker_4161.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4104 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(C5CCN(C6CCC(NC7=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=CC=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C3CCC(NC4=CC=CC5=C4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-N-methylpiperidine-4-carboxamide 25 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(C2CCN(CC2)C3CCCCC3)=O CN(CC1(C[R1])CC1)C(C2CCN(CC2)C3CCC([R2])CC3)=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCN(C2CCCCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C3CCC(CC3)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 55 51 55.0 51.0 1 linker/linker_4162.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4105 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCOC5CCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCOC2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]oxy-N-methylbutanamide 26 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCOC2CCCCC2)=O CN(CC1(C[R1])CC1)C(CCCOC2CCC([R2])CC2)=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCOC1CCCCC1 [R1]CC1(CC1)CN(C)C(=O)CCCOC2CCC(CC2)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 35 15 35.0 15.0 1 linker/linker_4163.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4106 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCCN(C5CCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)CC5)C)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCCN(C)C2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]-N-methylbutanamide 27 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCCN(C2CCCCC2)C)=O CN(CC1(C[R1])CC1)C(CCCN(C2CCC([R2])CC2)C)=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCCN(C)C1CCCCC1 [R1]CC1(CC1)CN(C)C(=O)CCCN(C)C2CCC(CC2)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 814 814.0 1 linker/linker_4164.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4107 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CCC(N(C5CCC(NC6=C(C(N(C7C(NC(CC7)=O)=O)C8=O)=O)C8=CC=C6)CC5)C)=O)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CCC(=O)N(C)C2CCC(NC3=CC=CC4=C3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-N'-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-N,N'-dimethylbutanediamide 28 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CCC(N(C2CCCCC2)C)=O)=O CN(CC1(C[R1])CC1)C(CCC(N(C2CCC([R2])CC2)C)=O)=O O=C1N(C2CCC(NC2=O)=O)C(C3=CC=CC(N[R2])=C31)=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CCC(=O)N(C)C1CCCCC1 [R1]CC1(CC1)CN(C)C(=O)CCC(=O)N(C)C2CCC(CC2)[R2] [R2]NC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O 927 927.0 1 linker/linker_4165.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_7.sdf 4108 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CN5CCN(C6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]-N-methylacetamide 29 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CN2CCN(CC2)C3CCNCC3)=O CN(CC1(C[R1])CC1)C(CN2CCN(CC2)C3CCN([R2])CC3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CN1CCN(C2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)CN2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 928 928.0 1 linker/linker_4166.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4109 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CN5CCN(C6CN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)C6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCN(C3CN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)C3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperazin-1-yl]-N-methylacetamide 30 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CN2CCN(CC2)C3CNC3)=O CN(CC1(C[R1])CC1)C(CN2CCN(CC2)C3CN([R2])C3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CN1CCN(C2CNC2)CC1 [R1]CC1(CC1)CN(C)C(=O)CN2CCN(CC2)C3CN(C3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1203 1203.0 0 linker/linker_4167.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4110 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CN5CCC(CN6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCC(CN3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-methylacetamide 31 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CN2CCC(CC2)CN3CCNCC3)=O CN(CC1(C[R1])CC1)C(CN2CCC(CC2)CN3CCN([R2])CC3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CN1CCC(CN2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)CN2CCC(CC2)CN3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1085 1085.0 0 linker/linker_4168.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4111 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(CN5CCC(OC6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)CN2CCC(OC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]-N-methylacetamide 32 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(CN2CCC(CC2)OC3CCNCC3)=O CN(CC1(C[R1])CC1)C(CN2CCC(CC2)OC3CCN([R2])CC3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)CN1CCC(OC2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)CN2CCC(CC2)OC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 814 814.0 1 linker/linker_4169.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4112 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(C5CCC(N6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(N3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]-N-methylcyclohexane-1-carboxamide 33 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(C2CCC(CC2)N3CCNCC3)=O CN(CC1(C[R1])CC1)C(C2CCC(CC2)N3CCN([R2])CC3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCC(N2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)N3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 1368 1368.0 0 linker/linker_4170.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4113 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(C5CCN(C6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide 34 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(C2CCN(CC2)C3CCNCC3)=O CN(CC1(C[R1])CC1)C(C2CCN(CC2)C3CCN([R2])CC3)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCN(C2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 684 684.0 1 linker/linker_4171.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4114 Q07889 Son of sevenless homolog 1 SOS1 CC1=NC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=N1)C=C(OCC4(CC4)CN(C(C5CCN(C(C6CCN(C7=CC=C8C(C(N(C9C(NC(CC9)=O)=O)C8=O)=O)=C7)CC6)=O)CC5)=O)C)C(OC)=C2 COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCN(C(=O)C3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide 35 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] CN(CC1(C)CC1)C(C2CCN(CC2)C(C3CCNCC3)=O)=O CN(CC1(C[R1])CC1)C(C2CCN(CC2)C(C3CCN([R2])CC3)=O)=O O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCN(C(=O)C2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCN(CC2)C(=O)C3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 84 84.0 1 linker/linker_4172.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4115 Q07889 Son of sevenless homolog 1 SOS1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC(N4CCC(NC5CCC(C(N(C)CC6(CC6)COC7=CC8=C(N=C(C)N=C8N[C@H](C)C9=CC(N)=CC(C(F)(F)F)=C9)C=C7OC)=O)CC5)CC4)=CC=C3C1=O COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(NC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]amino]-N-methylcyclohexane-1-carboxamide 36 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(C1CCC(NC2CCNCC2)CC1)N(C)CC3(CC3)C O=C(C1CCC(NC2CCN([R2])CC2)CC1)N(C)CC3(CC3)C[R1] O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCC(NC2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)NC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 513 513.0 1 linker/linker_4173.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4116 Q07889 Son of sevenless homolog 1 SOS1 O=C(N1C2C(NC(CC2)=O)=O)C3=CC(N4CCC(OC5CCC(C(N(C)CC6(CC6)COC7=CC8=C(N=C(C)N=C8N[C@H](C)C9=CC(N)=CC(C(F)(F)F)=C9)C=C7OC)=O)CC5)CC4)=CC=C3C1=O COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=C2C=C1OCC1(CN(C)C(=O)C2CCC(OC3CCN(C4=CC=C5C(=O)N(C6CCC(=O)NC6=O)C(=O)C5=C4)CC3)CC2)CC1 N-[[1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-7-methoxy-2-methylquinazolin-6-yl]oxymethyl]cyclopropyl]methyl]-4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]oxy-N-methylcyclohexane-1-carboxamide 37 COC1=CC2=C(C(N[C@H](C)C3=CC(N)=CC(C(F)(F)F)=C3)=NC(C)=N2)C=C1O[R1] O=C(C1CCC(OC2CCNCC2)CC1)N(C)CC3(CC3)C O=C(C1CCC(OC2CCN([R2])CC2)CC1)N(C)CC3(CC3)C[R1] O=C(C1=CC([R2])=CC=C21)N(C3CCC(NC3=O)=O)C2=O CRBN Q96SW2 [R1]OC1=C(C=C2C(=C1)C(=NC(=N2)C)N[C@H](C)C3=CC(=CC(=C3)N)C(F)(F)F)OC CN(CC1(C)CC1)C(=O)C1CCC(OC2CCNCC2)CC1 [R1]CC1(CC1)CN(C)C(=O)C2CCC(CC2)OC3CCN(CC3)[R2] [R2]C1=CC2=C(C=C1)C(=O)N(C2=O)C3CCC(=O)NC3=O 733 733.0 1 linker/linker_4174.sdf warhead/warhead_4138.sdf e3_ligand/e3_ligand_616.sdf 4117 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(NCCOC1=NC(N2CCOCC2)=CC(N/N=C/C3=CC(C)=CC=C3)=N1)CC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]propanediamide 7a CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 O=C(C)NCC O=C(C[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCNC(C)=O [R1]CCNC(=O)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_212.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 4118 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCNC(CCC(N[C@@H](C(C)(C)C)C(N3[C@H](C(NCC4=CC=C(C5=C(C)N=CS5)C=C4)=O)C[C@@H](O)C3)=O)=O)=O)=NC(N6CCOCC6)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]butanediamide 7b CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CC)=O O=C(CC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCNC(=O)CC [R1]CCNC(=O)CC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_590.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 4119 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CCCC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NCCOC4=NC(N5CCOCC5)=CC(N/N=C/C6=CC(C)=CC=C6)=N4 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCNC(=O)CCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCC3=CC=C(C4=C(C)N=CS4)C=C3)C(C)(C)C)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pentanediamide 7c CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCNC(CCC)=O O=C(CCC[R2])NCC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCC(=O)NCC [R1]CCNC(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_1723.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 4120 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 O=C(CC(N[C@@H](C(C)(C)C)C(N1[C@H](C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)C[C@@H](O)C1)=O)=O)NC(C=C4)=CC=C4CCOC5=NC(N6CCOCC6)=CC(N/N=C/C7=CC(C)=CC=C7)=N5 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]propanediamide 12a CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 O=C(NC1=CC=C(CC)C=C1)C O=C(NC1=CC=C(CC[R1])C=C1)C[R2] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCC1=CC=C(NC(C)=O)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)C[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_4178.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf 4121 Q9Y2I7 1-phosphatidylinositol 3-phosphate 5-kinase PIKfyve KIAA0981 PIP5K3 CC1=CC=CC(/C=N/NC2=NC(OCCC(C=C3)=CC=C3NC(CCCC(N[C@@H](C(C)(C)C)C(N4[C@H](C(NCC5=CC=C(C6=C(C)N=CS6)C=C5)=O)C[C@@H](O)C4)=O)=O)=O)=NC(N7CCOCC7)=C2)=C1 CC1=CC=CC(/C=N/NC2=CC(N3CCOCC3)=NC(OCCC3=CC=C(NC(=O)CCCC(=O)N[C@H](C(=O)N4C[C@H](O)C[C@H]4C(=O)NCC4=CC=C(C5=C(C)N=CS5)C=C4)C(C)(C)C)C=C3)=N2)=C1 N'-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-N-[4-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]phenyl]pentanediamide 12c CC1=CC(/C=N/NC2=CC(N3CCOCC3)=NC(O[R1])=N2)=CC=C1 CCC1=CC=C(NC(CCC)=O)C=C1 O=C(CCC[R2])NC1=CC=C(C=C1)CC[R1] [R2]C(N[C@H](C(N1[C@@H](C[C@H](C1)O)C(NCC2=CC=C(C=C2)C3=C(N=CS3)C)=O)=O)C(C)(C)C)=O VHL P40337 [R1]OC1=NC(=CC(=N1)N2CCOCC2)N/N=C/C3=CC=CC(=C3)C CCCC(=O)NC1=CC=C(CC)C=C1 [R1]CCC1=CC=C(C=C1)NC(=O)CCC[R2] [R2]C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C)O)C(C)(C)C 0/0 0.0 0 linker/linker_4179.sdf warhead/warhead_2189.sdf e3_ligand/e3_ligand_27.sdf