SCHEMBL790455

SCHEMBL790455

COc1ncc(-c2ccc3nc(N)c(-c4ccc(CN5CCCCC5)cc4C)cc3c2)cc1C1(F)C=C(F)C=CC1S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.41
PIK3CG P48736 6/20 0.39
PI4KA P42356 3/20 0.39
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PIK3CD O00329 4/20 0.33
PIK3R1 P27986 4/20 0.33
PIK3CB P42338 4/20 0.33
S1PR1 P21453 1/20 0.32
CHEK1 O14757 2/20 0.32

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
SCHEMBL789984 0.81 PI4KA (0.47) PIK3CAPIK3CGPI4KAPIK3R1
SCHEMBL791169 0.80 PIK3CG (0.47) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL790456 0.79 PIK3CA (0.46) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL789648 0.78 PIK3CA (0.67) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL790993 0.78 PIK3CG (0.67) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL806992 0.72 PIK3CG (0.73) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL789700 0.69 PIK3CG (0.45) PIK3CAPIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL789481 0.69 PI4KA (0.45) PIK3CGPI4KAJAK2JAK1TYK2
SCHEMBL789602 0.68 PI4KA (0.41) PIK3CGPI4KAJAK2JAK1TYK2
SCHEMBL807103 0.67 PI4KA (0.76) PIK3CAPIK3CGPI4KA

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