SCHEMBL8212448

SCHEMBL8212448

Cc1ccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.62
PIK3CD O00329 16/20 0.62
PIK3CB P42338 14/20 0.62
PIK3CG P48736 14/20 0.62
MTOR P42345 1/20 0.58

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
SCHEMBL1181251 0.89 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181088 0.89 HDAC3 (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1180977 0.89 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1180534 0.86 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181569 0.86 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL12166287 0.85 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181360 0.85 PIK3CD (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181125 0.84 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181334 0.84 PIK3CA (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL1181981 0.84 PIK3CA (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed