SCHEMBL31489700

SCHEMBL31489700

C[C@H](c1ccc(F)cc1)n1cc(-c2ccnc(-c3ccn4nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc4c3)c2F)cn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.33
RIPK1 Q13546 5/20 0.33
ROCK2 O75116 1/20 0.32
TBK1 Q9UHD2 2/20 0.31
GRM2 Q14416 1/20 0.31
KIT P10721 2/20 0.31
PDPK1 O15530 1/20 0.30
BRD4 O60885 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
SCHEMBL31489468 1.00 CREBBP (0.33) CREBBPRIPK1ROCK2TBK1GRM2
SCHEMBL31489543 0.97 RIPK1 (0.33) CREBBPRIPK1ROCK2TBK1KIT
SCHEMBL31489789 0.97 RIPK1 (0.33) CREBBPRIPK1ROCK2TBK1KIT
SCHEMBL31489724 0.87 RIPK1 (0.35) CREBBPRIPK1ROCK2TBK1KIT
SCHEMBL31489821 0.87 RIPK1 (0.35) CREBBPRIPK1ROCK2TBK1KIT
SCHEMBL31489497 0.86 CREBBP (0.35) CREBBPRIPK1ROCK2TBK1BRD4
SCHEMBL31489515 0.86 RIPK1 (0.35) CREBBPRIPK1ROCK2
SCHEMBL31489201 0.86 RIPK1 (0.35) CREBBPRIPK1ROCK2
SCHEMBL31489584 0.85 MKNK1 (0.34) CREBBPRIPK1ROCK2KIT
SCHEMBL31489856 0.85 MKNK1 (0.34) CREBBPRIPK1ROCK2KIT

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