SCHEMBL807243

SCHEMBL807243

COc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCCCC5C)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.68
PIK3CG P48736 7/20 0.68
PIK3CA P42336 13/20 0.54
MTOR P42345 4/20 0.53
PIK3R1 P27986 3/20 0.53

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
SCHEMBL790715 0.90 PIK3CG (0.75) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807169 0.89 PIK3CG (0.74) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807170 0.86 PIK3CG (0.71) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL10277173 0.86 PIK3CG (0.73) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL791064 0.86 PIK3CG (0.81) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789413 0.86 PIK3CG (0.72) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807154 0.85 PIK3CG (0.82) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL789386 0.85 PIK3CG (0.82) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807070 0.84 PIK3CG (0.80) PI4KAPIK3CGPIK3CAMTORPIK3R1
SCHEMBL807079 0.83 PI4KA (0.77) 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