SCHEMBL786640

SCHEMBL786640

COc1ncc(Br)cc1N(C)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.52
PI4KA P42356 2/20 0.52
PIK3CA P42336 15/20 0.38
MTOR P42345 9/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL790736 0.80 PIK3CG (0.47) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL29556045 0.80 PIK3CG (0.47) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL30333078 0.77 ALPL (0.36) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL22574365 0.76 CYP19A1 (0.36) PIK3C3
SCHEMBL30333881 0.75 PIK3CA (0.59) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL462714 0.75 PIK3CA (0.59) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL29610307 0.75 PIK3CA (0.59) PIK3CGPI4KAPIK3CAMTORPIK3R1
SCHEMBL12276604 0.74 PIK3CD (0.41) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL15571218 0.74 PRF1 (0.48) PIK3CGPI4KAPIK3CAPIK3CBPIK3C3
SCHEMBL1118864 0.71 SHMT2 (0.33) PIK3CGPIK3CAMTORPIK3CDPIK3CB

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