SCHEMBL807455

SCHEMBL807455

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCOCC4)cc3c2)cc1NS(=O)(=O)c1cnc(O)nc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 8/20 0.55
PIK3CG P48736 8/20 0.55
PIK3CD O00329 1/20 0.49
PIK3CA P42336 9/20 0.47
PIK3R1 P27986 2/20 0.47
MTOR P42345 3/20 0.47

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
SCHEMBL807470 0.90 PIK3CG (0.55) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL807137 0.86 PIK3CG (0.75) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL806763 0.83 KIT (0.49) PI4KAPIK3CGPIK3CDPIK3R1
SCHEMBL790228 0.81 PI4KA (0.52) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL10274897 0.80 PIK3CG (0.54) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL789956 0.80 PI4KA (0.55) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL10277708 0.79 PI4KA (0.51) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL807240 0.78 PIK3CG (0.67) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL10277220 0.78 PIK3CG (0.78) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL789777 0.78 PIK3CG (0.66) PI4KAPIK3CGPIK3CDPIK3CAPIK3R1

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