SCHEMBL790131

SCHEMBL790131

COc1ccc(CNc2nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccccc5)c4)cc3cc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.56
PIK3CG P48736 6/20 0.51
PIK3CA P42336 8/20 0.51
PIK3R1 P27986 3/20 0.51
PI4KA P42356 6/20 0.50
MTOR P42345 4/20 0.46
PIK3CB P42338 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
SCHEMBL790675 0.86 PIK3CA (0.69) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL790102 0.81 PIK3CG (0.66) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL789863 0.79 PIK3CA (0.65) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL807071 0.77 PIK3CA (0.60) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL789336 0.76 PIK3CA (0.61) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL807260 0.75 PIK3CA (0.58) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL807092 0.74 PI4KA (0.55) PIK3CDPIK3CGPIK3CAPI4KAMTOR
SCHEMBL789466 0.74 PIK3CA (0.67) PIK3CDPIK3CGPIK3CAPIK3R1PI4KA
SCHEMBL790763 0.74 PIK3CG (0.62) PIK3CDPIK3CGPIK3CAPI4KAMTOR
SCHEMBL790421 0.73 APP (0.42)

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed