SCHEMBL12836775

SCHEMBL12836775

CC(C)n1nc(NC(=O)OCC2C=CC=CC2)nc1-c1nc2c(s1)CCOc1cc(C3CN(CCS(C)(=O)=O)C3)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.50
PIK3CB P42338 18/20 0.50
PIK3CG P48736 8/20 0.43
PIK3CD O00329 7/20 0.42

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
SCHEMBL12836696 0.90 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL12836659 0.88 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484567 0.86 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484555 0.80 PIK3CA (0.63) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484793 0.80 PIK3CA (0.62) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL12340460 0.77 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484836 0.76 PIK3CA (0.81) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1485115 0.75 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL1484688 0.75 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3CD
Hydrochloric Acid SCHEMBL1485112 0.75 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGPIK3CD

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-2011036284-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed