SCHEMBL30550654

SCHEMBL30550654

O=c1[nH]ncc(N[C@H]2CCC[C@@H](Cn3ccc4cc(-c5ncc(C(F)(F)F)cn5)c(F)cc4c3=O)C2)c1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 15/20 0.50
▸ TNKS O95271 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP12 Q9H0J9 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33

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
SCHEMBL25903730 1.00 TIPARP (0.50) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25903612 1.00 TIPARP (0.50) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25320275 1.00 TIPARP (0.50) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL30550643 0.96 TIPARP (0.51) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321625 0.96 TIPARP (0.51) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL30550870 0.96 TIPARP (0.51) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25321033 0.96 TIPARP (0.51) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25907638 0.96 TIPARP (0.51) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL26658866 0.95 TIPARP (0.49) TIPARPTNKSPARP14PARP10PARP12
SCHEMBL25904009 0.94 TIPARP (0.52) TIPARPKITFLT3GRM4

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 2 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
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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