SCHEMBL4440124

SCHEMBL4440124

Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(N)C=O)CC4)cc3n2)cn1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.72
PIK3CA P42336 20/20 0.72
PIK3CB P42338 20/20 0.72
PIK3CG P48736 20/20 0.72
MTOR P42345 1/20 0.72

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
SCHEMBL4445830 0.92 PIK3CA (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4437806 0.91 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4437975 0.89 PIK3CA (0.69) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4448427 0.89 PIK3CA (0.77) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL12464542 0.89 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4447453 0.88 PIK3CA (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL13557953 0.86 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1181612 0.86 PIK3CA (0.79) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4440499 0.85 PIK3CA (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1181393 0.85 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP claimed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed