SCHEMBL461168

SCHEMBL461168

COc1ncc(-c2nn3c(C4=CCCCC4)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.54
PIK3CD O00329 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 3/20 0.52
PRF1 P14222 2/20 0.49
MTOR P42345 2/20 0.48
PIK3R1 P27986 3/20 0.47

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
SCHEMBL454735 0.86 PIK3CG (0.56) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL15975806 0.85 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL452518 0.85 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL456400 0.84 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL454938 0.83 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL454365 0.83 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL451324 0.82 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL451311 0.82 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL2551599 0.81 PIK3CA (0.51) PIK3CAPIK3CDPIK3CBPIK3CGPRF1
SCHEMBL452267 0.81 PIK3CA (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPRF1

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-2011121317-A9 IMIDAZOTHIADIAZOLES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-03-15 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed