SCHEMBL789702

SCHEMBL789702

COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(C#N)c3c2)cc1-c1c(F)ccc(S(N)(=O)=O)c1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 11/20 0.52
PI4KA P42356 8/20 0.52
PIK3CA P42336 8/20 0.44
MTOR P42345 5/20 0.44
PIK3CD O00329 3/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
FYN P06241 1/20 0.39
MAPK10 P53779 1/20 0.36

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
SCHEMBL789701 0.83 PIK3CG (0.73) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807275 0.82 PIK3CG (0.63) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL789700 0.79 PIK3CG (0.45) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL10277093 0.76 KDM4E (0.43) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL806789 0.72 PIK3CD (0.50) PIK3CGPIK3CAMTORPIK3CDPIK3R1
SCHEMBL807136 0.71 PIK3CG (0.73) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807212 0.71 PIK3CD (0.46) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL790128 0.71 PIK3CG (0.70) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL806785 0.71 PIK3CG (0.49) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL807280 0.70 PIK3CD (0.50) PIK3CGPI4KAPIK3CAMTORPIK3CD

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