SCHEMBL807079

SCHEMBL807079

COc1ncc(-c2ccc3nc(N)c(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.77
PIK3CG P48736 8/20 0.77
PIK3CA P42336 12/20 0.57
MTOR P42345 5/20 0.57

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
SCHEMBL789312 0.94 PIK3CG (0.83) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807022 0.89 PIK3CG (0.85) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL10277402 0.88 PI4KA (0.76) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL791170 0.87 PIK3CG (0.82) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL790715 0.87 PIK3CG (0.75) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL789570 0.87 PIK3CG (1.00) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL789913 0.87 PIK3CG (0.81) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807169 0.86 PIK3CG (0.74) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807338 0.86 PIK3CG (0.80) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL807085 0.85 PIK3CG (1.00) 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