SCHEMBL8008317

SCHEMBL8008317

N/C=C/c1nccn1-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.70
MTOR P42345 8/20 0.70
PIK3R1 P27986 1/20 0.49
ATR Q13535 7/20 0.49
PIK3CD O00329 5/20 0.48
PIK3CB P42338 4/20 0.48
PIK3CG P48736 4/20 0.48
PRKDC P78527 1/20 0.45

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
SCHEMBL8012909 0.89 PIK3CA (0.73) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL4447612 0.89 PIK3CA (0.67) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8009127 0.89 PIK3CA (0.67) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8003220 0.85 PIK3CA (0.78) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8009816 0.83 PIK3CA (0.73) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL1309409 0.83 PIK3CA (0.70) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8003292 0.83 PIK3CA (0.80) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8010317 0.83 PIK3CA (0.74) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8008189 0.83 PIK3CA (1.00) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8003295 0.82 PIK3CA (0.82) PIK3CAMTORPIK3R1ATRPIK3CD

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