SCHEMBL31489451

SCHEMBL31489451

CC(F)(F)[C@@H](c1ccc(F)cc1)n1cc(-c2ccnc(-c3cc(F)c4nc(N)nn4c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.37
PIK3CG P48736 3/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CA P42336 2/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
DYRK1B Q9Y463 1/20 0.30
MAPK14 Q16539 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL31489210 0.89 PIK3CD (0.39) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL31489406 0.87 PIK3CG (0.42) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL31489890 0.87 PIK3CD (0.30) PIK3CDPIK3CGPIK3CAMKNK1
SCHEMBL31489599 0.85 PIK3CG (0.38) PIK3CDPIK3CGPIK3CBPIK3CAMKNK1
SCHEMBL31489510 0.84 PIK3CD (0.38) PIK3CDPIK3CGPIK3CB
SCHEMBL31489198 0.84 PIK3CG (0.33) PIK3CDPIK3CGPIK3CAMKNK1DYRK1B
SCHEMBL31489460 0.84 PIK3CD (0.36) PIK3CDPIK3CGPIK3CAMKNK1
SCHEMBL31489391 0.79 PIK3CD (0.32) PIK3CDPIK3CGPIK3CA
SCHEMBL31489669 0.79 PIK3CG (0.35) PIK3CDPIK3CGPIK3CBPIK3CAMKNK1
SCHEMBL31489637 0.77 MKNK1 (0.39) MEN1NPC1RAB9AKMT2AATM

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