SCHEMBL31489736

SCHEMBL31489736

C[C@H](c1cccnc1)n1cc(-c2cccc(-c3ccn4nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc4c3)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 7/20 0.38
RIPK1 Q13546 1/20 0.35
ROCK2 O75116 1/20 0.32
BRD4 O60885 4/20 0.32
JAK2 O60674 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31
TDP2 O95551 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNA5 P22460 1/20 0.30

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
SCHEMBL31489529 1.00 CREBBP (0.38) CREBBPRIPK1ROCK2BRD4JAK2
SCHEMBL31489497 0.93 CREBBP (0.35) CREBBPRIPK1ROCK2BRD4JAK2
SCHEMBL31489247 0.87 CREBBP (0.38) CREBBPBRD4JAK2
SCHEMBL31489700 0.83 CREBBP (0.33) CREBBPRIPK1ROCK2BRD4
SCHEMBL31489468 0.83 CREBBP (0.33) CREBBPRIPK1ROCK2BRD4
SCHEMBL31489543 0.83 RIPK1 (0.33) CREBBPRIPK1ROCK2
SCHEMBL31489789 0.83 RIPK1 (0.33) CREBBPRIPK1ROCK2
SCHEMBL31489310 0.83 TDP2 (0.32) RIPK1ROCK2JAK2TDP2
SCHEMBL31489211 0.80 CREBBP (0.43) CREBBPRIPK1ROCK2PIK3CAPIK3CG
SCHEMBL31489964 0.80 CREBBP (0.43) CREBBPRIPK1ROCK2PIK3CAPIK3CG

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