SCHEMBL456273

SCHEMBL456273

COc1ncc(-c2cc(NC(=O)c3csc(CN4C[C@H](C)O[C@@H](C)C4)n3)c3cn[nH]c3c2)cc1NS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.54
PIK3CA P42336 12/20 0.51
PIK3CG P48736 10/20 0.51
PIK3CB P42338 9/20 0.51
PIK3R2 O00459 1/20 0.49
PIK3R1 P27986 6/20 0.41
MTOR P42345 2/20 0.39
PIM1 P11309 1/20 0.36
GSK3B P49841 1/20 0.36
PI4KA P42356 1/20 0.35

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
SCHEMBL1771180 1.00 PIK3CD (0.54) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
Trifluoroacetic Acid SCHEMBL17491775 0.97 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL456954 0.94 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL13578003 0.94 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772156 0.94 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1771473 0.93 PIK3CD (0.55) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL17491776 0.91 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
Trifluoroacetic Acid SCHEMBL1772078 0.90 PIK3CD (0.51) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
Trifluoroacetic Acid SCHEMBL2092080 0.90 PIK3CD (0.52) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2
SCHEMBL1772235 0.90 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBPIK3R2

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