SCHEMBL8009816

SCHEMBL8009816

c1ccc(-c2nccn2-c2nc(-c3cccc4[nH]ccc34)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.73
MTOR P42345 9/20 0.73
ATR Q13535 8/20 0.50
PIK3R1 P27986 1/20 0.50
PIK3CD O00329 5/20 0.49
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
PRKDC P78527 1/20 0.46

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
SCHEMBL8003220 0.89 PIK3CA (0.78) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8003295 0.85 PIK3CA (0.82) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8012909 0.85 PIK3CA (0.73) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL1309409 0.85 PIK3CA (0.70) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8008189 0.84 PIK3CA (1.00) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8010317 0.84 PIK3CA (0.74) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8012481 0.84 PIK3CA (0.79) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8008317 0.83 PIK3CA (0.70) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8012360 0.83 PIK3CA (0.86) PIK3CAMTORATRPIK3R1PIK3CD
SCHEMBL8003292 0.83 PIK3CA (0.80) PIK3CAMTORATRPIK3R1PIK3CD

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