SCHEMBL31489351

SCHEMBL31489351

Cc1ccc(C)n1-c1nc2cc(-c3nc(-c4cn[nH]c4)ccc3F)ccn2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.35
NTRK1 P04629 2/20 0.33
GRK2 P25098 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL31489184 0.85 PIK3CD (0.30) PIK3CDPIK3CAPIK3CG
SCHEMBL31489506 0.84 ROCK2 (0.34) ROCK2PIK3CAPIK3CG
SCHEMBL31489207 0.82 MAPK1 (0.33) ROCK2PIK3CDPIK3CAPIK3CG
SCHEMBL31489376 0.81 TDP2 (0.32)
SCHEMBL31489494 0.76 NTRK1 (0.33) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489815 0.76 SCN9A (0.34) ROCK2
SCHEMBL31489702 0.76 NTRK1 (0.33) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489203 0.75 PDE10A (0.32)
SCHEMBL31489405 0.75 PDE10A (0.34) PIK3CDPIK3CAPIK3CG
SCHEMBL31489399 0.69 KDM4E (0.35)

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