SCHEMBL790922

SCHEMBL790922

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)Cc5ccccc5)c4)ccc3nc2N)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 14/20 0.60
PIK3CG P48736 13/20 0.60
PIK3CD O00329 2/20 0.42
RIPK2 O43353 2/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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 0.89 PI4KA (0.68) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL796868 0.87 PIK3CG (0.60) PI4KAPIK3CGPIK3CDPIK3CA
SCHEMBL790314 0.87 PIK3CG (0.56) PI4KAPIK3CGPIK3CDRIPK2PIK3CA
SCHEMBL791562 0.86 PIK3CG (0.57) PI4KAPIK3CGPIK3CDRIPK2PIK3CA
SCHEMBL806962 0.85 PI4KA (0.62) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL791544 0.85 PI4KA (0.64) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL807197 0.84 PIK3CG (0.59) PI4KAPIK3CGPIK3CDRIPK2PIK3CA
SCHEMBL790028 0.84 PI4KA (0.60) PI4KAPIK3CGPIK3CDPIK3CAMTOR
SCHEMBL10274684 0.84 PIK3CG (0.60) PI4KAPIK3CGPIK3CDRIPK2PIK3CA
SCHEMBL790025 0.84 PIK3CG (0.56) 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