SCHEMBL470170

SCHEMBL470170

[O-][S+](c1ccccc1)n1ncc2c(-c3nnc(CN4CCCOCC4)o3)cc(-c3cccc4[nH]ccc34)cc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.45
PIK3CA P42336 8/20 0.38
PIK3CD O00329 8/20 0.38
PIK3CB P42338 7/20 0.38
MTOR P42345 1/20 0.36
TDO2 P48775 2/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGS2 P35354 3/20 0.34
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
HPGDS O60760 1/20 0.33
ATR Q13535 1/20 0.32

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
SCHEMBL716886 0.83 PIK3CG (0.45) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL470238 0.80 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIK3CBTLR8
SCHEMBL714369 0.77 PIK3CG (0.46) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL715105 0.77 PIK3CG (0.71) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL13190540 0.76 PIK3CA (0.42) PIK3CGPIK3CAPIK3CDPIK3CBMTOR
SCHEMBL715410 0.75 PIK3CG (0.69) PIK3CGPIK3CAPIK3CDPIK3CBTDO2
SCHEMBL714352 0.73 PIK3CG (0.58) PIK3CGPIK3CAPIK3CDPIK3CBRAB9A
SCHEMBL470418 0.72 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDPIK3CBATR
SCHEMBL713914 0.70 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDPIK3CBRAB9A
SCHEMBL458937 0.68 PIK3CD (0.60) PIK3CGPIK3CAPIK3CDPIK3CBMTOR

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-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2010102958-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed