SCHEMBL451312

SCHEMBL451312

COc1ncc(-c2nn3cc(-c4cnc5ccccc5c4)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.52
PI4KA P42356 6/20 0.52
PIK3CA P42336 13/20 0.52
MTOR P42345 4/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
PRF1 P14222 1/20 0.49

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
SCHEMBL454736 0.92 PIK3CG (0.56) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL452519 0.88 PIK3CA (0.59) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL456401 0.87 PIK3CA (0.59) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL454939 0.86 PIK3CA (0.61) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL451311 0.86 PIK3CA (0.53) PIK3CGPI4KAPIK3CAMTORPIK3CD
SCHEMBL454366 0.86 PIK3CA (0.53) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL456038 0.84 PIK3CA (0.51) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL451325 0.84 PIK3CA (0.59) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL2551603 0.84 PIK3CA (0.51) PIK3CGPIK3CAMTORPIK3CDPIK3CB
SCHEMBL452268 0.83 PIK3CA (0.55) 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-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