SCHEMBL789858

SCHEMBL789858

CCS(=O)(=O)c1ccc(-c2cc3cc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(OC)c(OC)c5)c4)ccc3nc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 11/20 0.59
PIK3CG P48736 10/20 0.59
PIK3CA P42336 4/20 0.45
RIPK2 O43353 1/20 0.44
MTOR P42345 2/20 0.43
PIK3CD O00329 2/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42

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) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL791172 0.90 PI4KA (0.68) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL796868 0.88 PIK3CG (0.60) PI4KAPIK3CGPIK3CAPIK3CD
SCHEMBL790028 0.88 PI4KA (0.60) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790426 0.87 PI4KA (0.58) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790402 0.87 PI4KA (0.58) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790926 0.87 PI4KA (0.58) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL790186 0.85 PI4KA (0.53) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL791544 0.85 PI4KA (0.64) PI4KAPIK3CGPIK3CAMTORPIK3CD
SCHEMBL807197 0.85 PIK3CG (0.59) PI4KAPIK3CGPIK3CARIPK2MTOR

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