SCHEMBL790926

SCHEMBL790926

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)c5ccc([N+](=O)[O-])cc5)c4)ccc3nc2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 10/20 0.58
PIK3CG P48736 10/20 0.58
PIK3CA P42336 7/20 0.45
PIK3CD O00329 3/20 0.44
MTOR P42345 3/20 0.44
PIK3R1 P27986 2/20 0.43
PIK3CB P42338 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
SCHEMBL806962 0.91 PI4KA (0.62) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL791172 0.90 PI4KA (0.68) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL790426 0.87 PI4KA (0.58) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL789858 0.87 PI4KA (0.59) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL796868 0.87 PIK3CG (0.60) PI4KAPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL790028 0.86 PI4KA (0.60) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL790402 0.86 PI4KA (0.58) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL791544 0.84 PI4KA (0.64) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL807197 0.84 PIK3CG (0.59) PI4KAPIK3CGPIK3CAPIK3CDMTOR
SCHEMBL789502 0.84 PIK3CG (0.59) PI4KAPIK3CGPIK3CAPIK3CDMTOR

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