SCHEMBL470331

SCHEMBL470331

COc1ncc(-c2cc(N)c(C=N)c(-c3nnc(CN4CCCOCC4)o3)c2)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.47
PIK3CA P42336 9/20 0.47
PIK3CG P48736 6/20 0.47
PIK3CB P42338 5/20 0.47
PIK3R1 P27986 4/20 0.47
TNF P01375 1/20 0.42
PIK3R2 O00459 1/20 0.42
MTOR P42345 1/20 0.41

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
SCHEMBL459270 0.83 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL470211 0.81 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL13190186 0.80 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL457173 0.79 PIK3CA (0.45) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL13190540 0.77 PIK3CA (0.42) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL10280417 0.75 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL10187722 0.73 PIK3CG (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL470092 0.73 PIK3CA (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL458644 0.72 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1
SCHEMBL470096 0.71 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R1

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