SCHEMBL790010

SCHEMBL790010

CCOc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(C(N)=O)c3c2)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.49
PI4KA P42356 6/20 0.49
PIK3CD O00329 6/20 0.48
PIK3CA P42336 11/20 0.45
PIK3CB P42338 5/20 0.45
MTOR P42345 2/20 0.44
PIK3R1 P27986 2/20 0.41
MCL1 Q07820 1/20 0.39
PRKDC P78527 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL806785 0.88 PIK3CG (0.49) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL807136 0.80 PIK3CG (0.73) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL14317941 0.75 PIK3CG (0.67) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL3114056 0.74 PIK3CG (0.64) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL807046 0.74 PIK3CG (0.44) PIK3CGPI4KAPIK3CDPIK3CAMTOR
Formic Acid SCHEMBL14247639 0.73 PI4KA (0.63) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL807470 0.73 PIK3CG (0.55) PIK3CGPI4KAPIK3CDPIK3CAMTOR
SCHEMBL10277708 0.70 PI4KA (0.51) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB
SCHEMBL10277681 0.70 LRRK2 (0.47)
SCHEMBL14247315 0.69 PI4KA (0.67) PIK3CGPI4KAPIK3CDPIK3CAPIK3CB

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