SCHEMBL470211

SCHEMBL470211

CNc1cc(-c2cnc(OC)c(NS(C)(=O)=O)c2)cc(-c2nnc(CN3CCNCC3)o2)c1C=N

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.47
PIK3CA P42336 13/20 0.44
PIK3CB P42338 12/20 0.44
PIK3CG P48736 12/20 0.44
PIK3R2 O00459 1/20 0.44
PIK3R1 P27986 10/20 0.41
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL13190186 0.90 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470331 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL10280417 0.76 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL470096 0.75 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL457776 0.75 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL719755 0.74 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL459270 0.74 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL714978 0.73 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL714987 0.72 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R2
SCHEMBL459118 0.72 PIK3CD (0.80) 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 1 patent. 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