SCHEMBL31489416

SCHEMBL31489416

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3cncc(-c4cnn([C@H](c5ccc(F)cc5)C(C)(F)F)c4)n3)ccn2n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.31
TDP2 O95551 1/20 0.31
ROCK2 O75116 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CG P48736 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
SCHEMBL31489859 1.00 RIPK1 (0.31) RIPK1TDP2ROCK2PIK3CDPIK3CG
SCHEMBL31489612 0.95 RIPK1 (0.30) RIPK1
SCHEMBL31489810 0.95 RIPK1 (0.30) RIPK1
SCHEMBL31489572 0.92 PIK3CG (0.34) RIPK1ROCK2PIK3CDPIK3CG
SCHEMBL31489784 0.89 RIPK1 (0.30) RIPK1
SCHEMBL31489721 0.89 ROCK2 (0.32) RIPK1TDP2ROCK2PIK3CG
SCHEMBL31489695 0.89 TDP2 (0.31) RIPK1TDP2ROCK2
SCHEMBL31489896 0.89 RIPK1 (0.30) RIPK1
SCHEMBL31489668 0.89 TDP2 (0.31) RIPK1TDP2ROCK2
SCHEMBL31489755 0.89 ROCK2 (0.32) RIPK1ROCK2

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