SCHEMBL31489459

SCHEMBL31489459

CC(c1ccc(F)cc1)n1cc(-c2cccc(Cl)n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 12/20 0.42
GPR55 Q9Y2T6 1/20 0.36
CYP17A1 P05093 1/20 0.34
IDH1 O75874 4/20 0.34
IDH2 P48735 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
BRD4 O60885 3/20 0.34

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
SCHEMBL31489526 1.00 CREBBP (0.42) CREBBPGPR55CYP17A1IDH1IDH2
SCHEMBL31489258 0.85 CREBBP (0.42) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489347 0.85 CREBBP (0.42) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489699 0.79 CREBBP (0.39) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489770 0.79 CREBBP (0.39) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489216 0.75 CREBBP (0.45) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489380 0.75 CREBBP (0.40) CREBBPGPR55CYP17A1
SCHEMBL31489577 0.75 CREBBP (0.45) CREBBPGPR55CYP17A1BRD4
SCHEMBL31489470 0.75 CREBBP (0.40) CREBBPGPR55CYP17A1
SCHEMBL18097819 0.71 PDE2A (0.48) CREBBP

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-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed