SCHEMBL31489504

SCHEMBL31489504

Nc1nc2cc(-c3cccc(-c4cnn(Cc5ccccc5)c4)c3F)ccn2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 10/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PIK3CG P48736 4/20 0.43
PIK3CD O00329 4/20 0.43
PDK2 Q15119 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
FEN1 P39748 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL31489679 0.88 PIK3CG (0.42) CREBBPADORA2AADORA1L3MBTL1PIK3CG
SCHEMBL31489799 0.86 L3MBTL1 (0.54) CREBBPADORA2AADORA1L3MBTL1PIK3CG
SCHEMBL31489509 0.84 RIPK1 (0.38) PIK3CGPIK3CDPDK2FEN1
SCHEMBL31489737 0.84 RIPK1 (0.38) PIK3CGPIK3CDPDK2FEN1
SCHEMBL31489587 0.84 PIK3CG (0.38) PIK3CGPIK3CDPDK2FEN1
SCHEMBL31489369 0.79 RIPK1 (0.39) PIK3CGPIK3CDPDK2PIK3CAPIK3CB
SCHEMBL31489934 0.79 RIPK1 (0.39) PIK3CGPIK3CDPDK2PIK3CAPIK3CB
SCHEMBL31489824 0.78 CREBBP (0.47) CREBBPPIK3CGPIK3CDBRD4
SCHEMBL31489221 0.78 CREBBP (0.47) CREBBPPIK3CGPIK3CDBRD4
SCHEMBL31489243 0.78 PIK3CG (0.38) PIK3CGPIK3CDPDK2PIK3CAPIK3CB

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