SCHEMBL115933

SCHEMBL115933

COc1ncc(Nc2ncc(CCN3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.88
PIK3CD O00329 11/20 0.88
PIK3R1 P27986 11/20 0.88
PIK3CB P42338 11/20 0.88
PIK3CG P48736 11/20 0.88
MTOR P42345 4/20 0.77

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
SCHEMBL115536 0.94 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL116889 0.94 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL116733 0.94 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL116737 0.87 PIK3CA (0.68) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL7778140 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL7777078 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL114372 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL114722 0.86 PIK3CA (0.69) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL169232 0.85 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL3101772 0.84 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP claimed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO claimed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed