SCHEMBL25978768

SCHEMBL25978768

Cn1cc(C(F)(F)F)nc1-c1ccc(CNc2nc(Cl)ncc2O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 14/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ CYP2C9 P11712 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ HSD17B10 Q99714 1/20 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
SCHEMBL25978766 0.90 PDE2A (0.36) USP1PDE2A
SCHEMBL29878992 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL30032845 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL29296027 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27031623 0.89 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL30032988 0.88 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27088234 0.88 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL25978631 0.88 USP1 (0.41) USP1PDE2A
SCHEMBL29878759 0.88 USP1 (0.39) USP1HDAC1HDAC8HDAC6HDAC5
SCHEMBL27031709 0.88 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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