SCHEMBL14247481

SCHEMBL14247481

COc1ncc(-c2ccc3nc(N)n(-c4ccc(N5CCOCC5)cc4)c3c2)cc1S(=O)(=O)Nc1cccc(C)c1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 17/20 0.55
PIK3CG P48736 16/20 0.55
PIK3CA P42336 2/20 0.48
PIK3CD O00329 2/20 0.45
PIK3R1 P27986 1/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL14247728 0.93 PI4KA (0.55) PI4KAPIK3CGPIK3CAPIK3CD
SCHEMBL30089076 0.91 PI4KA (0.61) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14247403 0.91 PI4KA (0.61) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL29923006 0.91 PI4KA (0.61) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14247335 0.89 PI4KA (0.56) PI4KAPIK3CGPIK3CAPIK3CD
SCHEMBL14317917 0.88 PIK3CG (0.67) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14247284 0.88 PIK3CG (0.54) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14247396 0.86 PIK3CG (0.48) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14305946 0.86 PIK3CG (0.56) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1
SCHEMBL14247306 0.86 PIK3CG (0.54) PI4KAPIK3CGPIK3CAPIK3CDPIK3R1

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-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed