SCHEMBL31489417

SCHEMBL31489417

C[C@H](c1ccc(F)cc1)n1cc(-c2cncc(Br)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.46
GPR55 Q9Y2T6 6/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP17A1 P05093 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL31489474 1.00 CREBBP (0.46) CREBBPGPR55CYP11B1CYP11B2CYP17A1
SCHEMBL31489470 0.79 CREBBP (0.40) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489380 0.79 CREBBP (0.40) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489790 0.79 CREBBP (0.45) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489452 0.79 CREBBP (0.45) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489286 0.76 CREBBP (0.45) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489871 0.76 CREBBP (0.45) CREBBPGPR55CYP17A1CLK1DYRK1A
SCHEMBL31489577 0.76 CREBBP (0.45) CREBBPGPR55CYP11B1CYP11B2CYP17A1
SCHEMBL31489216 0.76 CREBBP (0.45) CREBBPGPR55CYP11B1CYP11B2CYP17A1
SCHEMBL31489263 0.76 CREBBP (0.46) CREBBPGPR55CYP17A1CLK1DYRK1A

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