SCHEMBL31489680

SCHEMBL31489680

COc1ncc(Br)cc1-c1cnn(C(C)c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.43
RIPK1 Q13546 1/20 0.40
BRD4 O60885 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
CLK1 P49759 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CG P48736 2/20 0.34
MTOR P42345 1/20 0.34
DYRK1A Q13627 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 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
SCHEMBL31489706 1.00 CREBBP (0.43) CREBBPRIPK1BRD4GPR55CLK1
SCHEMBL31489474 0.76 CREBBP (0.46) CREBBPGPR55CLK1DYRK1AJAK2
SCHEMBL31489417 0.76 CREBBP (0.46) CREBBPGPR55CLK1DYRK1AJAK2
SCHEMBL31489263 0.75 CREBBP (0.46) CREBBPBRD4GPR55CLK1DYRK1A
SCHEMBL31489452 0.73 CREBBP (0.45) CREBBPGPR55CLK1DYRK1AJAK2
SCHEMBL31489790 0.73 CREBBP (0.45) CREBBPGPR55CLK1DYRK1AJAK2
SCHEMBL31489202 0.73 CREBBP (0.46) CREBBPBRD4GPR55
SCHEMBL31489519 0.73 CREBBP (0.46) CREBBPBRD4GPR55
SCHEMBL22777630 0.72 CREBBP (0.51) CREBBPBRD4
SCHEMBL31489687 0.70 CREBBP (0.43) CREBBPBRD4GPR55CLK1DYRK1A

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