SCHEMBL463254

SCHEMBL463254

O=C(Nc1cc(-c2ccnc3c2ccn3[S+]([O-])c2ccccc2)cc2c1cnn2[S+]([O-])c1ccccc1)c1csc(CCl)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.31
PIK3CD O00329 1/20 0.31
PIM1 P11309 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GSK3B P49841 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
SCHEMBL12577362 0.89 PIK3CD (0.32) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL463255 0.77 PIK3C3 (0.38) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12577368 0.70 PIK3CD (0.47) PIK3CDPIM1PIK3CAPIK3CBPIK3CG
SCHEMBL2216932 0.66 PIK3CD (0.41) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2212140 0.65 PIK3CD (0.46) CHEK1PIK3CDPIM1PIK3CAPIK3CB
SCHEMBL459444 0.64 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL1430635 0.62 PIK3CD (0.37) CHEK1PIK3CDPIM1PIK3CAPIK3CB
SCHEMBL1771925 0.62 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1772142 0.61 IDO1 (0.41) PIM1
SCHEMBL13578009 0.61 PIM1 (0.36) PIM1

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