SCHEMBL31489695

SCHEMBL31489695

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3nc(-c4cnn([C@H](c5ccc(F)cc5)C(C)(F)F)c4)ccc3F)ccn2n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.31
ROCK2 O75116 1/20 0.31
RIPK1 Q13546 3/20 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
SCHEMBL31489668 1.00 TDP2 (0.31) TDP2ROCK2RIPK1
SCHEMBL31489803 0.93 TDP2 (0.32) TDP2
SCHEMBL31489755 0.93 ROCK2 (0.32) ROCK2RIPK1
SCHEMBL31489267 0.90
SCHEMBL31489859 0.89 RIPK1 (0.31) TDP2ROCK2RIPK1
SCHEMBL31489416 0.89 RIPK1 (0.31) TDP2ROCK2RIPK1
SCHEMBL31489721 0.89 ROCK2 (0.32) TDP2ROCK2RIPK1
SCHEMBL31489322 0.88 ROCK2 (0.32) ROCK2RIPK1
SCHEMBL31489564 0.88 RIPK1 (0.33) ROCK2RIPK1
SCHEMBL31489572 0.88 PIK3CG (0.34) ROCK2RIPK1

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