SCHEMBL4436259

SCHEMBL4436259

CC(N)(C=O)CN1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
PIK3CD O00329 13/20 0.60
PIK3CB P42338 13/20 0.60
PIK3CG P48736 13/20 0.60
MTOR P42345 9/20 0.60
SYK P43405 1/20 0.60
MAP3K9 P80192 1/20 0.60

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
SCHEMBL4440951 0.94 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4446859 0.86 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4435267 0.85 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4446687 0.85 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4436257 0.85 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4440950 0.85 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4440499 0.85 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4436163 0.84 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4445274 0.83 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4439039 0.83 PIK3CA (0.68) 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