SCHEMBL31489491

SCHEMBL31489491

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc2cc(-c3nccc(-c4cnn([C@H](c5ccc(F)cc5)C(F)(F)F)c4)n3)ccn2n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 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
SCHEMBL31489691 1.00 HSP90AA1 (0.31) HSP90AA1PIK3CAPIK3CGROCK2RIPK1
SCHEMBL31489721 0.96 ROCK2 (0.32) HSP90AA1PIK3CAPIK3CGROCK2RIPK1
SCHEMBL31489612 0.89 RIPK1 (0.30) RIPK1
SCHEMBL31489810 0.89 RIPK1 (0.30) RIPK1
SCHEMBL31489416 0.85 RIPK1 (0.31) PIK3CGROCK2RIPK1
SCHEMBL31489859 0.85 RIPK1 (0.31) PIK3CGROCK2RIPK1
SCHEMBL31489668 0.84 TDP2 (0.31) ROCK2RIPK1
SCHEMBL31489695 0.84 TDP2 (0.31) ROCK2RIPK1
SCHEMBL31489288 0.84 RIPK1 (0.31) RIPK1
SCHEMBL31489572 0.83 PIK3CG (0.34) PIK3CAPIK3CGROCK2RIPK1

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