SCHEMBL789648

SCHEMBL789648

COc1ncc(-c2ccc3nc(N)c(-c4ccc(CN5CCCCC5)cc4C)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.67
PIK3CG P48736 8/20 0.66
PI4KA P42356 7/20 0.66
MTOR P42345 3/20 0.55
PIK3R1 P27986 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CB P42338 1/20 0.51

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
SCHEMBL790993 0.99 PIK3CG (0.67) PIK3CAPIK3CGPI4KAMTORPIK3R1
SCHEMBL806992 0.94 PIK3CG (0.73) PIK3CAPIK3CGPI4KAMTORPIK3R1
SCHEMBL807103 0.89 PI4KA (0.76) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL807088 0.86 PIK3CG (0.82) PIK3CAPIK3CGPI4KAMTORPIK3R1
SCHEMBL789854 0.85 PI4KA (0.72) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL10277402 0.85 PI4KA (0.76) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL807250 0.84 PI4KA (0.76) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL790456 0.83 PIK3CA (0.46) PIK3CAPIK3CGPI4KAMTORPIK3R1
SCHEMBL807176 0.83 PIK3CG (0.87) PIK3CAPIK3CGPI4KAMTORPIK3R1
SCHEMBL807195 0.83 PI4KA (0.75) PIK3CAPIK3CGPI4KAMTOR

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