SCHEMBL31590252

SCHEMBL31590252

CCn1ccc2c(-c3ccc(F)cc3)cn(C)c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 17/20 0.43
▸ PARG Q86W56 1/20 0.41
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 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
SCHEMBL31590072 0.84 BRD4 (0.46) BRD4PARGIDO1TDO2
SCHEMBL31590222 0.84 GFER (0.44) BRD4
SCHEMBL31589831 0.82 PKM (0.43) BRD4
SCHEMBL18077741 0.76 ESRRA (0.38) —
SCHEMBL16474963 0.76 BRD4 (0.43) BRD4TDO2
SCHEMBL17963571 0.74 CCNT1 (0.33) BRD4
SCHEMBL16475179 0.73 BRD4 (0.40) BRD4TDO2
SCHEMBL31589757 0.72 BRD4 (0.46) BRD4PARG
SCHEMBL31589671 0.72 BRD4 (0.56) BRD4PARG
SCHEMBL16474997 0.71 MAPT (0.38) —

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
CN-120040445-A Heterocyclopyridine-7-one compound and medical application thereof 浙江大学金华研究院 2025-05-27 — — CN disclosed
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