SCHEMBL31489452

SCHEMBL31489452

C[C@H](c1ccc(F)cc1)n1cc(-c2ccnc(Br)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.45
CLK1 P49759 5/20 0.41
DYRK1A Q13627 5/20 0.41
GPR55 Q9Y2T6 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CYP17A1 P05093 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL31489790 1.00 CREBBP (0.45) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489417 0.79 CREBBP (0.46) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489474 0.79 CREBBP (0.46) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489380 0.75 CREBBP (0.40) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489470 0.75 CREBBP (0.40) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489347 0.75 CREBBP (0.42) CREBBPGPR55CYP17A1
SCHEMBL31489263 0.75 CREBBP (0.46) CREBBPCLK1DYRK1AGPR55CYP17A1
SCHEMBL31489258 0.75 CREBBP (0.42) CREBBPGPR55CYP17A1
SCHEMBL31489687 0.74 CREBBP (0.43) CREBBPCLK1DYRK1AGPR55JAK2
SCHEMBL31489560 0.74 CREBBP (0.43) CREBBPCLK1DYRK1AGPR55JAK2

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