SCHEMBL31489873

SCHEMBL31489873

CC[C@H](c1ccc(F)cn1)n1cc(-c2ccc(F)c(-c3ccn4nc(-n5c(C)ccc5C)nc4c3)n2)cn1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
NTRK1 P04629 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
SCHEMBL31489735 1.00 ROCK2 (0.31) ROCK2PIK3CDPIK3CAPIK3CGFGFR1
SCHEMBL31489384 0.88 FGFR1 (0.34) ROCK2PIK3CDPIK3CAPIK3CGFGFR1
SCHEMBL31489409 0.88 FGFR1 (0.34) ROCK2PIK3CDPIK3CAPIK3CGFGFR1
SCHEMBL31489494 0.82 NTRK1 (0.33) PIK3CDPIK3CAPIK3CGNTRK1
SCHEMBL31489702 0.82 NTRK1 (0.33) PIK3CDPIK3CAPIK3CGNTRK1
SCHEMBL31489178 0.81
SCHEMBL31489660 0.80 BRD4 (0.35) NTRK1
SCHEMBL31489722 0.78 NTRK1 (0.30) NTRK1
SCHEMBL31489827 0.77 JAK2 (0.31) NTRK1
SCHEMBL31489351 0.74 ROCK2 (0.35) ROCK2PIK3CDPIK3CAPIK3CGNTRK1

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