SCHEMBL461806

SCHEMBL461806

COc1ncc(-c2cc(-c3ncc(CN4CC(C)OC(C)C4)o3)c3cn[nH]c3c2)cc1CS(N)(=O)=O

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.76
PIK3CA P42336 13/20 0.76
PIK3CB P42338 12/20 0.76
PIK3CG P48736 12/20 0.76
PIK3R2 O00459 1/20 0.76
PIK3R1 P27986 8/20 0.40
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL458032 1.00 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16266146 0.87 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL660510 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL29394358 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL657898 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL16266140 0.87 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL173490 0.87 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL461788 0.86 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470241 0.83 PIK3CD (0.79) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL13075389 0.83 PIK3CD (0.79) 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