SCHEMBL789863

SCHEMBL789863

COc1ccc(CNc2nc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc3cc2Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.65
PIK3R1 P27986 4/20 0.65
PIK3CG P48736 9/20 0.61
PI4KA P42356 7/20 0.61
MTOR P42345 4/20 0.54
PIK3CD O00329 2/20 0.51
PIK3CB P42338 2/20 0.51

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 0.88 PIK3CA (0.69) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL789911 0.85 PIK3CG (0.77) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL789336 0.83 PIK3CA (0.61) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL807071 0.82 PIK3CA (0.60) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL806732 0.80 PI4KA (0.68) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL14247779 0.79 PIK3CA (0.74) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL790131 0.79 PIK3CD (0.56) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL791380 0.77 PIK3CG (0.66) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL10277562 0.77 PIK3CG (0.76) PIK3CAPIK3R1PIK3CGPI4KAMTOR
SCHEMBL789466 0.77 PIK3CA (0.67) PIK3CAPIK3R1PIK3CGPI4KAMTOR

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