SCHEMBL462083

SCHEMBL462083

COc1ncc(-c2nn3c(CN4CCOCC4)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
PIK3CD O00329 9/20 0.61
PIK3CG P48736 9/20 0.61
PIK3CB P42338 8/20 0.61
PIK3R1 P27986 5/20 0.56
MTOR P42345 2/20 0.56
PI4KA P42356 1/20 0.54

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
SCHEMBL462084 0.86 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL453081 0.83 PIK3CA (0.61) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL454938 0.83 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL451324 0.82 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL18995684 0.81 PIK3CA (0.73) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL455765 0.81 PIK3CA (0.55) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL454735 0.81 PIK3CG (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL15975806 0.80 PIK3CA (0.56) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL532206 0.80 PIK3CA (0.54) PIK3CAPIK3CDPIK3CGPIK3CBPIK3R1
SCHEMBL452518 0.80 PIK3CA (0.59) PIK3CAPIK3CDPIK3CGPIK3CBMTOR

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-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed