SCHEMBL790751

SCHEMBL790751

CCOC(=O)c1cc2cc(-c3cnc(OC)c(NS(=O)(=O)c4cccnc4)c3)ccc2nc1N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.58
MTOR P42345 5/20 0.58
PIK3CG P48736 11/20 0.56
PI4KA P42356 9/20 0.56
PIK3CD O00329 6/20 0.46
PIK3CB P42338 3/20 0.44
PIK3R1 P27986 1/20 0.43
RPTOR Q8N122 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43
MLST8 Q9BVC4 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
SCHEMBL807155 0.89 PIK3CG (0.62) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL789833 0.89 PIK3CG (0.61) PIK3CAMTORPIK3CGPI4KAPIK3CD
Lithium SCHEMBL789835 0.89 PIK3CG (0.61) PIK3CAMTORPIK3CGPI4KAPIK3CD
Lithium Ion SCHEMBL789834 0.88 PI4KA (0.58) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL790763 0.84 PIK3CG (0.62) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL791474 0.83 PIK3CG (0.70) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL790028 0.83 PI4KA (0.60) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL807470 0.82 PIK3CG (0.55) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL10274897 0.82 PIK3CG (0.54) PIK3CAMTORPIK3CGPI4KAPIK3CD
SCHEMBL790228 0.80 PI4KA (0.52) PIK3CAMTORPIK3CGPI4KAPIK3CD

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