SCHEMBL4070882

SCHEMBL4070882

CS(=O)(=O)OCCc1cc2nc(Cl)nc(N3CCOCC3)c2s1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.50
PIK3R1 P27986 8/20 0.50
PIK3CD O00329 9/20 0.46
PIK3CB P42338 9/20 0.46
PIK3CG P48736 9/20 0.46
MTOR P42345 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1300566 0.89 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1857333 0.81 PIK3CA (0.65) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1862454 0.80 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1862201 0.80 PIK3CA (0.67) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181208 0.80 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL27906320 0.80 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL4076548 0.80 PIK3CA (0.60) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL7898875 0.80 PIK3CA (0.56) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL21914144 0.79 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL2558004 0.79 PIK3CA (0.51) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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 disclosed
EP-2046799-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Genentech, Inc. (US) 2009-04-15 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
WO-2007127183-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GENENTECH, INC. (US) 2007-11-08 WO disclosed