SCHEMBL30550679

SCHEMBL30550679

C[C@@H](CCCn1ccc2cc(-c3ccc(C4(C#N)CC4)cn3)cc(F)c2c1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ TIPARP Q7Z3E1 2/20 0.32
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL25323968 1.00 ACACB (0.33) ACACBGRM2TIPARPFGFR1FGFR4
SCHEMBL25323965 1.00 ACACB (0.33) ACACBGRM2TIPARPFGFR1FGFR4
SCHEMBL25320929 0.84 GRM2 (0.35) GRM2TIPARPFGFR1FGFR4
SCHEMBL30550705 0.84 GRM2 (0.35) GRM2TIPARPFGFR1FGFR4
SCHEMBL25320933 0.84 GRM2 (0.35) GRM2TIPARPFGFR1FGFR4
SCHEMBL25321334 0.80 TIPARP (0.53) TIPARP
SCHEMBL25321340 0.80 TIPARP (0.53) TIPARP
SCHEMBL25319165 0.76 TIPARP (0.39) TIPARP
SCHEMBL25319163 0.76 TIPARP (0.39) TIPARP
SCHEMBL25321367 0.76 AAK1 (0.41) ACACBTIPARP

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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