SCHEMBL10274844

SCHEMBL10274844

COc1ncc(-c2ccc3nc(N)c(-c4ccc(S(=O)O)cc4)cc3c2)cc1NS(=O)(=O)CC(C)C

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.54
PI4KA P42356 9/20 0.54
PIK3CA P42336 7/20 0.42
PIK3CD O00329 6/20 0.42
PIK3CB P42338 4/20 0.42
EGFR P00533 1/20 0.39
MTOR P42345 1/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL790314 0.87 PIK3CG (0.56) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL806963 0.80 PIK3CG (0.60) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL791562 0.76 PIK3CG (0.57) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL796868 0.75 PIK3CG (0.60) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790922 0.74 PI4KA (0.60) PIK3CGPI4KAPIK3CAPIK3CDMTOR
SCHEMBL806962 0.73 PI4KA (0.62) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL791172 0.73 PI4KA (0.68) PIK3CGPI4KAPIK3CAPIK3CDMTOR
SCHEMBL807197 0.73 PIK3CG (0.59) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL10274684 0.72 PIK3CG (0.60) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL790025 0.72 PIK3CG (0.56) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB

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