SCHEMBL1724596

SCHEMBL1724596

COc1ncc(-c2cc(-c3nnc(CN4CCN(C(C)C)CC4)o3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.53
PIK3CA P42336 14/20 0.49
PIK3CB P42338 4/20 0.49
PIK3CG P48736 4/20 0.49
PIK3R2 O00459 1/20 0.49
PIK3R1 P27986 9/20 0.41
MTOR P42345 3/20 0.41
MAP3K20 Q9NYL2 1/20 0.38

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
SCHEMBL459638 0.90 PIK3CA (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL457776 0.89 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL456997 0.81 PIK3CA (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL10187720 0.81 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL463365 0.81 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL462573 0.80 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470096 0.79 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL463595 0.79 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16667395 0.79 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL719755 0.79 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2

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
EP-2406255-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-01-18 EP disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed