SCHEMBL25978632

SCHEMBL25978632

COc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 12/20 0.44
▸ PTGS2 P35354 6/20 0.39
▸ PTGS1 P23219 4/20 0.39
▸ ADRB2 P07550 1/20 0.37
▸ PDE4B Q07343 1/20 0.35
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL29043900 0.93 USP1 (0.42) USP1PTGS2PTGS1ADRB2
SCHEMBL30462024 0.93 USP1 (0.42) USP1PTGS2PTGS1ADRB2
SCHEMBL25978767 0.87 USP1 (0.42) USP1ADRB2
SCHEMBL27031678 0.86 USP1 (0.41) USP1PTGS2
SCHEMBL29878934 0.86 USP1 (0.41) USP1PTGS2
SCHEMBL30461986 0.86 USP1 (0.39) USP1PTGS2PTGS1ADRB2
SCHEMBL29043885 0.86 USP1 (0.39) USP1PTGS2PTGS1ADRB2
SCHEMBL25978533 0.86 USP1 (0.50) USP1
SCHEMBL25978576 0.84 USP1 (0.43) USP1PTGS2PTGS1
SCHEMBL31155901 0.84 USP1 (0.45) USP1PTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148643-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS USP1 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 — — WO disclosed
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