SCHEMBL4445274

SCHEMBL4445274

Nc1ncc(-c2nc(N3CCOCC3)c3sc(C4(O)CCN(C(O)C=O)CC4)cc3n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.56
PIK3CD O00329 12/20 0.56
PIK3CB P42338 12/20 0.56
PIK3CG P48736 12/20 0.56
MTOR P42345 11/20 0.56
SYK P43405 1/20 0.56
MAP3K9 P80192 1/20 0.56
AKT1 P31749 1/20 0.50

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
SCHEMBL4437644 0.88 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4446859 0.88 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL5102260 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4446857 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4435267 0.85 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4444175 0.84 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4440950 0.84 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4439039 0.83 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4435360 0.83 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4436259 0.83 PIK3CA (0.60) 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 4 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
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 WO disclosed