SCHEMBL456954

SCHEMBL456954

COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.55
PIK3CA P42336 14/20 0.51
PIK3CB P42338 7/20 0.51
PIK3CG P48736 7/20 0.51
PIK3R2 O00459 1/20 0.51
PIK3R1 P27986 8/20 0.42
MTOR P42345 2/20 0.37

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
SCHEMBL1772156 1.00 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13578003 1.00 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
Trifluoroacetic Acid SCHEMBL2092080 0.97 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1772235 0.94 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771180 0.94 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL456273 0.94 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
Trifluoroacetic Acid SCHEMBL1772245 0.91 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL2092091 0.91 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL1771996 0.91 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL4558235 0.91 PIK3CD (0.57) 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-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed