SCHEMBL30550893

SCHEMBL30550893

C[C@@H](CCCn1ccc2cc(-c3ccc(C#N)cn3)cc(F)c2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 20/20 0.53
▸ TNKS O95271 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP12 Q9H0J9 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL25322091 1.00 TIPARP (0.53) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25322085 1.00 TIPARP (0.53) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25319387 0.91 TIPARP (0.56) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25319383 0.91 TIPARP (0.56) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25324377 0.90 TIPARP (0.56) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25324380 0.90 TIPARP (0.56) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25324311 0.88 TIPARP (0.54) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25324315 0.88 TIPARP (0.54) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321340 0.88 TIPARP (0.53) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321334 0.88 TIPARP (0.53) TIPARPTNKSPARP14PARP10PARP12

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
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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