SCHEMBL30197872

SCHEMBL30197872

O=C1NCCc2c(Br)cc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 10/20 0.56
▸ PARP11 Q9NR21 7/20 0.56
▸ PARP1 P09874 8/20 0.51
▸ PARP2 Q9UGN5 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ TNKS O95271 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ POLA1 P09884 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CDK16 Q00536 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PARP15 Q460N3 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23951998 1.00 PARP10 (0.56) PARP10PARP11PARP1PARP2DYRK3
SCHEMBL22982047 0.79 PARP10 (0.56) PARP10PARP11PARP1CDK1CDK2
SCHEMBL29698302 0.79 PARP10 (0.56) PARP10PARP11PARP1PIM1DYRK1A
SCHEMBL30197575 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23952300 0.79 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22990298 0.79 PARP10 (0.56) PARP10PARP11PARP1PIM1DYRK1A
SCHEMBL29698189 0.79 PARP10 (0.56) PARP10PARP11PARP1CDK1CDK2
SCHEMBL24886285 0.79 PARP10 (0.56) PARP10PARP11PARP1GRM5ACHE
SCHEMBL32669251 0.79 PARP10 (0.51) PARP10PARP11PARP1PARP2DYRK3
SCHEMBL32669434 0.78 PARP1 (0.50) PARP10PARP11PARP1PARP2DYRK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397412-B Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2025-03-25 — — CN disclosed
EP-4135691-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-02-22 — — EP disclosed
CN-115397412-A Modulators of MAS-related G protein receptor X4 and related products and methods 伊赛恩特制药公司 2022-11-25 — — CN disclosed
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