SCHEMBL789502

SCHEMBL789502

CCOc1ncc(-c2ccc3nc(N)c(-c4ccc(S(=O)(=O)CC)cc4)cc3c2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.59
PI4KA P42356 11/20 0.59
PIK3CD O00329 4/20 0.47
PIK3CA P42336 2/20 0.47
PIK3CB P42338 1/20 0.47
MTOR P42345 1/20 0.45

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
SCHEMBL791172 0.93 PI4KA (0.68) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL790040 0.91 PIK3CG (0.56) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL806962 0.87 PI4KA (0.62) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL791133 0.87 PIK3CG (0.51) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790028 0.86 PI4KA (0.60) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790941 0.85 PIK3CG (0.49) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790926 0.84 PI4KA (0.58) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790426 0.84 PI4KA (0.58) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL791544 0.84 PI4KA (0.64) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL789858 0.83 PI4KA (0.59) PIK3CGPI4KAPIK3CDPIK3CAMTOR

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