SCHEMBL8008709

SCHEMBL8008709

c1ccc2c(c1)nc(C1CCCC1)n2-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.52
MTOR P42345 11/20 0.52
PIK3R1 P27986 2/20 0.47
PIK3CB P42338 6/20 0.47
PIK3CD O00329 4/20 0.47
PIK3CG P48736 3/20 0.47
ATR Q13535 3/20 0.45
PIK3C2B O00750 1/20 0.45
PRKDC P78527 1/20 0.43

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
SCHEMBL8009124 0.96 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8010377 0.85 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8008124 0.83 PIK3CB (0.69) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8012804 0.82 PIK3CB (0.69) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8014950 0.82 PIK3CA (0.69) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8010974 0.82 PIK3CA (0.68) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL1309409 0.82 PIK3CA (0.70) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8008306 0.81 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8001319 0.80 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CBPIK3CD
SCHEMBL8003233 0.80 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CD

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