SCHEMBL31489840

SCHEMBL31489840

Cc1ccc(C)n1-c1nc2cc(-c3cccc(-c4cnn(C(c5ccc(F)cc5)C(C)C)c4)n3)ccn2n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.31
NTRK1 P04629 1/20 0.31
ROCK2 O75116 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
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
SCHEMBL31489763 1.00 TDP2 (0.31) TDP2NTRK1ROCK2PIK3CDPIK3CA
SCHEMBL31489395 0.93 NTRK1 (0.31) NTRK1RIPK1
SCHEMBL31489494 0.89 NTRK1 (0.33) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489702 0.89 NTRK1 (0.33) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489441 0.86 RIPK1 (0.40) TDP2PIK3CDPIK3CAPIK3CGRIPK1
SCHEMBL31489404 0.86 RIPK1 (0.40) TDP2PIK3CDPIK3CAPIK3CGRIPK1
SCHEMBL31489315 0.86 ROCK2 (0.32) ROCK2PIK3CDPIK3CAPIK3CG
SCHEMBL31489860 0.83 PIK3CD (0.32) NTRK1ROCK2PIK3CDPIK3CAPIK3CG
SCHEMBL31489338 0.82
SCHEMBL31489317 0.79 PIK3CG (0.41) PIK3CDPIK3CAPIK3CGRIPK1

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