SCHEMBL25978633

SCHEMBL25978633

COc1cnc(Cl)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 8/20 0.43
▸ CHRM4 P08173 3/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL30462082 0.93 USP1 (0.42) USP1CCNE2CCNE1CDK2PDE2A
SCHEMBL29043898 0.93 USP1 (0.42) USP1CCNE2CCNE1CDK2PDE2A
SCHEMBL25978629 0.90 USP1 (0.40) USP1CCNE2CCNE1CDK2PDE2A
SCHEMBL25978768 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL29296027 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL29878992 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL30032845 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27031623 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL30032988 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27088234 0.87 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5

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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