SCHEMBL807195

SCHEMBL807195

COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCCCC5)cc4Cl)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.75
PIK3CG P48736 8/20 0.75
PIK3CA P42336 12/20 0.56
MTOR P42345 5/20 0.55

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
SCHEMBL807249 0.94 PIK3CG (0.86) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807103 0.92 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807250 0.92 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10277402 0.88 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807256 0.86 PIK3CG (0.87) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807176 0.86 PIK3CG (0.87) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807085 0.86 PIK3CG (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL798396 0.86 PIK3CG (0.86) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL789854 0.85 PI4KA (0.72) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL790598 0.85 PIK3CG (0.73) PI4KAPIK3CGPIK3CAMTOR

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