SCHEMBL31489644

SCHEMBL31489644

COc1ncc(-c2ccn3nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc3c2)cc1-c1cnn([C@H](C)c2ccc(F)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.36
PIK3CA P42336 11/20 0.34
PIK3CG P48736 11/20 0.34
PIK3CD O00329 4/20 0.33
ROCK2 O75116 1/20 0.32
CREBBP Q92793 1/20 0.31
NTRK1 P04629 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
FLT3 P36888 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL31489826 1.00 RIPK1 (0.36) RIPK1PIK3CAPIK3CGPIK3CDROCK2
SCHEMBL31489856 0.88 MKNK1 (0.34) RIPK1PIK3CAPIK3CGPIK3CDROCK2
SCHEMBL31489584 0.88 MKNK1 (0.34) RIPK1PIK3CAPIK3CGPIK3CDROCK2
SCHEMBL31489468 0.85 CREBBP (0.33) RIPK1ROCK2CREBBPKIT
SCHEMBL31489700 0.85 CREBBP (0.33) RIPK1ROCK2CREBBPKIT
SCHEMBL31489795 0.85 RIPK1 (0.34) RIPK1ROCK2
SCHEMBL31489398 0.85 RIPK1 (0.34) RIPK1ROCK2
SCHEMBL31489724 0.85 RIPK1 (0.35) RIPK1ROCK2CREBBPKIT
SCHEMBL31489821 0.85 RIPK1 (0.35) RIPK1ROCK2CREBBPKIT
SCHEMBL31489201 0.84 RIPK1 (0.35) RIPK1PIK3CAPIK3CGROCK2CREBBP

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