SCHEMBL31489347

SCHEMBL31489347

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 13/20 0.42
BRD4 O60885 4/20 0.36
GPR55 Q9Y2T6 1/20 0.36
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RIPK1 Q13546 1/20 0.34
USP1 O94782 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
SCHEMBL31489258 1.00 CREBBP (0.42) CREBBPBRD4GPR55CYP17A1ALDH1A1
SCHEMBL31489459 0.85 CREBBP (0.42) CREBBPBRD4GPR55CYP17A1
SCHEMBL31489380 0.85 CREBBP (0.40) CREBBPGPR55CYP17A1RIPK1
SCHEMBL31489470 0.85 CREBBP (0.40) CREBBPGPR55CYP17A1RIPK1
SCHEMBL31489526 0.85 CREBBP (0.42) CREBBPBRD4GPR55CYP17A1
SCHEMBL31489183 0.84 JAK2 (0.39) CYP17A1
SCHEMBL31489249 0.84 JAK2 (0.39) CYP17A1
SCHEMBL31489349 0.83 GABRA1 (0.32)
SCHEMBL31489575 0.83 GABRA1 (0.32)
SCHEMBL26529057 0.81 KDM5B (0.44) CREBBPBRD4

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