SCHEMBL114722

SCHEMBL114722

COc1ncc(Nc2ncc(CCN3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc3[nH]cnc23)cc1F

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.69
PIK3CD O00329 7/20 0.69
PIK3R1 P27986 7/20 0.69
PIK3CB P42338 7/20 0.69
PIK3CG P48736 7/20 0.69
MTOR P42345 3/20 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
SCHEMBL113079 0.89 PIK3CA (0.63) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL115933 0.86 PIK3CA (0.88) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL114654 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL3100248 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL114653 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL27879507 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL115546 0.84 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL116733 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL115536 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL116889 0.81 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