SCHEMBL2551599

SCHEMBL2551599

COc1ncc(-c2nn3c(-c4ccnc(C(F)(F)F)c4)cnc3s2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.51
MTOR P42345 8/20 0.51
PIK3CD O00329 4/20 0.49
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
PRF1 P14222 2/20 0.48
PIK3R1 P27986 1/20 0.48
PRKDC P78527 1/20 0.48
PDE4D Q08499 1/20 0.48
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
IRAK3 Q9Y616 1/20 0.48

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
SCHEMBL454365 0.90 PIK3CA (0.53) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL452518 0.89 PIK3CA (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL456400 0.88 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL454735 0.86 PIK3CG (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2551603 0.86 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15975806 0.86 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL453081 0.84 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL454938 0.84 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL452267 0.83 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL451324 0.83 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-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