SCHEMBL4555920

SCHEMBL4555920

CCC(C)(c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1)N(C)C(C)=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.70
PIK3CD O00329 15/20 0.70
PIK3CB P42338 15/20 0.70
PIK3CG P48736 15/20 0.70
MTOR P42345 7/20 0.70
SYK P43405 1/20 0.70
MAP3K9 P80192 1/20 0.70

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
SCHEMBL4435345 0.84 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4438862 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29439920 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4440993 0.82 PIK3CA (0.81) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4447560 0.82 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17571363 0.82 PIK3CA (0.88) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL17555335 0.81 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4440777 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4439810 0.80 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4441432 0.79 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP claimed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO claimed