SCHEMBL789956

SCHEMBL789956

COc1cc(C(=O)N2CCOCC2)ccc1-c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4ccccc4)c3)ccc2nc1N

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.55
PIK3CG P48736 7/20 0.55
PIK3CD O00329 5/20 0.53
PIK3CA P42336 7/20 0.47
MTOR P42345 3/20 0.47
PIK3R1 P27986 3/20 0.46
PIK3CB P42338 1/20 0.44
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL807320 0.88 PIK3CG (0.72) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL806968 0.82 PIK3CG (0.72) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL10277754 0.81 PIK3CG (0.71) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807470 0.81 PIK3CG (0.55) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL791064 0.81 PIK3CG (0.81) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807455 0.80 PI4KA (0.55) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807244 0.78 PIK3CG (0.61) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807175 0.78 PIK3CG (0.76) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL790765 0.77 PIK3CG (0.74) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807256 0.76 PIK3CG (0.87) PI4KAPIK3CGPIK3CDPIK3CAMTOR

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