SCHEMBL31489286

SCHEMBL31489286

C[C@H](c1ccc(F)cc1)n1cc(-c2cnnc(O)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.45
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
RIPK1 Q13546 3/20 0.35
KIT P10721 1/20 0.35
MET P08581 1/20 0.34
CYP17A1 P05093 1/20 0.34
BRD4 O60885 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 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
SCHEMBL31489871 1.00 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55RIPK1
SCHEMBL31489216 0.85 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55KIT
SCHEMBL31489577 0.85 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55KIT
SCHEMBL31489417 0.76 CREBBP (0.46) CREBBPCLK1DYRK1AGPR55CYP17A1
SCHEMBL31489474 0.76 CREBBP (0.46) CREBBPCLK1DYRK1AGPR55CYP17A1
SCHEMBL31489452 0.72 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55KIT
SCHEMBL31489790 0.72 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55KIT
SCHEMBL24783582 0.70 CYP17A1 (0.43) CREBBPCLK1DYRK1AGPR55RIPK1
SCHEMBL24783581 0.70 CYP17A1 (0.43) CREBBPCLK1DYRK1AGPR55RIPK1
SCHEMBL26509021 0.70 CYP17A1 (0.43) CREBBPCLK1DYRK1AGPR55RIPK1

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