SCHEMBL8003259

SCHEMBL8003259

N#C/C=C\c1cn(-c2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.53
MTOR P42345 10/20 0.53
PIK3R1 P27986 1/20 0.46
PIK3CD O00329 7/20 0.44
PIK3CB P42338 6/20 0.44
PIK3CG P48736 6/20 0.44
ATR Q13535 3/20 0.44
PRKDC P78527 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL8008147 1.00 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4450942 1.00 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8010127 0.92 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8012812 0.89 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4023502 0.87 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4455822 0.87 PIK3CA (0.56) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4456085 0.85 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8003400 0.85 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL8003310 0.83 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4447612 0.82 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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-2009093981-A1 TRIAZINE COMPOUNDS AS KINASE INHIBITORS S BIO PTE LTD (SG) 2009-07-30 WO disclosed