SCHEMBL8003263

SCHEMBL8003263

CCc1nccn1-c1nc(-c2ccnc3[nH]ccc23)nc(N2CCOCC2)n1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.75
MTOR P42345 7/20 0.75
PIK3R1 P27986 2/20 0.53
ATR Q13535 10/20 0.48
PIK3CD O00329 2/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PDCD1 Q15116 5/20 0.45
CD274 Q9NZQ7 5/20 0.45
CHEK1 O14757 4/20 0.45
ATRIP Q8WXE1 3/20 0.44

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
SCHEMBL7999332 0.93 PIK3CA (0.65) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8008189 0.86 PIK3CA (1.00) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8012360 0.79 PIK3CA (0.86) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8012065 0.78 PIK3CA (0.84) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8015109 0.76 PIK3CA (0.82) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8003295 0.76 PIK3CA (0.82) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8003292 0.75 PIK3CA (0.80) PIK3CAMTORPIK3R1ATRPIK3CD
SCHEMBL8012484 0.75 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL4018669 0.75 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CB
SCHEMBL8012481 0.75 PIK3CA (0.79) 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