SCHEMBL790314

SCHEMBL790314

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)CC(C)C)c4)ccc3nc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.56
PI4KA P42356 10/20 0.56
PIK3CD O00329 5/20 0.44
PIK3CA P42336 4/20 0.44
PIK3CB P42338 3/20 0.44
RIPK2 O43353 2/20 0.42
PIK3R1 P27986 1/20 0.41
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL791562 0.89 PIK3CG (0.57) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL796868 0.89 PIK3CG (0.60) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL10274844 0.87 PIK3CG (0.54) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL790922 0.87 PI4KA (0.60) PIK3CGPI4KAPIK3CDPIK3CARIPK2
SCHEMBL806962 0.86 PI4KA (0.62) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL807197 0.86 PIK3CG (0.59) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL791172 0.86 PI4KA (0.68) PIK3CGPI4KAPIK3CDPIK3CA
SCHEMBL790025 0.85 PIK3CG (0.56) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL10274684 0.85 PIK3CG (0.60) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL789858 0.84 PI4KA (0.59) PIK3CGPI4KAPIK3CDPIK3CARIPK2

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