SCHEMBL31489202

SCHEMBL31489202

CC(c1ccc(F)cc1)n1cc(-c2cccc(Br)c2F)cn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.46
BRD4 O60885 5/20 0.40
PDK2 Q15119 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
NR3C2 P08235 1/20 0.35
CYP17A1 P05093 1/20 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
SCHEMBL31489519 1.00 CREBBP (0.46) CREBBPBRD4PDK2GPR55NR3C2
SCHEMBL31489462 0.89 CREBBP (0.49) CREBBPBRD4PDK2
SCHEMBL31489263 0.85 CREBBP (0.46) CREBBPBRD4GPR55CYP17A1
SCHEMBL31489746 0.84 CYP17A1 (0.38) CREBBPPDK2NR3C2CYP17A1
SCHEMBL31489590 0.84 CYP17A1 (0.38) CREBBPPDK2NR3C2CYP17A1
SCHEMBL31489229 0.83 PDK2 (0.36) CREBBPPDK2
SCHEMBL31489182 0.83 PDK2 (0.36) CREBBPPDK2
SCHEMBL31489347 0.78 CREBBP (0.42) CREBBPBRD4GPR55CYP17A1
SCHEMBL31489258 0.78 CREBBP (0.42) CREBBPBRD4GPR55CYP17A1
SCHEMBL31489687 0.77 CREBBP (0.43) CREBBPBRD4GPR55CYP17A1

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