SCHEMBL790456

SCHEMBL790456

COc1ncc(-c2ccc3nc(N)c(-c4ccc(CN5CCCCC5)cc4C)cc3c2)cc1-c1c(F)ccc(S(N)(=O)=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.46
PIK3CG P48736 7/20 0.44
PI4KA P42356 6/20 0.44
PIK3R1 P27986 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.35
ACVR1 Q04771 1/20 0.34
CHEK1 O14757 1/20 0.33

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
SCHEMBL789648 0.83 PIK3CA (0.67) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL790993 0.83 PIK3CG (0.67) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL789986 0.79 PI4KA (0.53) PIK3CAPIK3CGPI4KAPIK3R1MTOR
SCHEMBL790455 0.79 PIK3CA (0.41) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL791171 0.79 PIK3CG (0.54) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL806992 0.77 PIK3CG (0.73) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL807103 0.72 PI4KA (0.76) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL807088 0.69 PIK3CG (0.82) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD
SCHEMBL789854 0.68 PI4KA (0.72) PIK3CAPIK3CGPI4KAMTOR
SCHEMBL789702 0.68 PIK3CG (0.52) PIK3CAPIK3CGPI4KAPIK3R1PIK3CD

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