SCHEMBL30550705

SCHEMBL30550705

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.35
▸ FGFR1 P11362 1/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ IDH1 O75874 2/20 0.31
▸ PIK3C2A O00443 1/20 0.30
▸ PIK3C2B O00750 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ TIPARP Q7Z3E1 2/20 0.30
▸ AXL P30530 1/20 0.30
▸ TYRO3 Q06418 1/20 0.30
▸ MERTK Q12866 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
SCHEMBL25320929 1.00 GRM2 (0.35) GRM2FGFR1FGFR4IDH1PIK3C2A
SCHEMBL25320933 1.00 GRM2 (0.35) GRM2FGFR1FGFR4IDH1PIK3C2A
SCHEMBL25323968 0.84 ACACB (0.33) GRM2FGFR1FGFR4TIPARP
SCHEMBL30550679 0.84 ACACB (0.33) GRM2FGFR1FGFR4TIPARP
SCHEMBL25323965 0.84 ACACB (0.33) GRM2FGFR1FGFR4TIPARP
SCHEMBL25321340 0.82 TIPARP (0.53) TIPARP
SCHEMBL25321334 0.82 TIPARP (0.53) TIPARP
SCHEMBL25319165 0.77 TIPARP (0.39) TIPARP
SCHEMBL25319163 0.77 TIPARP (0.39) TIPARP
SCHEMBL25898569 0.74 GRM2 (0.41) GRM2

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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