SCHEMBL31489494

SCHEMBL31489494

Cc1ccc(C)n1-c1nc2cc(-c3nc(-c4cnn(C(c5ccc(F)cc5)C(C)C)c4)ccc3F)ccn2n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.33
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
TGFBR1 P36897 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
SCHEMBL31489702 1.00 NTRK1 (0.33) NTRK1PIK3CDPIK3CAPIK3CGTGFBR1
SCHEMBL31489840 0.89 TDP2 (0.31) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489763 0.89 TDP2 (0.31) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489395 0.87 NTRK1 (0.31) NTRK1
SCHEMBL31489386 0.86 PIK3CG (0.35) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489516 0.86 PIK3CG (0.35) NTRK1PIK3CDPIK3CAPIK3CG
SCHEMBL31489660 0.86 BRD4 (0.35) NTRK1
SCHEMBL31489178 0.86
SCHEMBL31489827 0.85 JAK2 (0.31) NTRK1
SCHEMBL31489722 0.84 NTRK1 (0.30) NTRK1

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