SCHEMBL470243

SCHEMBL470243

Cc1cn(C)nc1C(=O)Nc1cc(-c2cc(N)cc3[nH]ccc23)cc2[nH]ncc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.51
PIK3CB P42338 7/20 0.51
PIM1 P11309 7/20 0.51
GSK3B P49841 7/20 0.51
PIK3CG P48736 7/20 0.51
PIK3CA P42336 7/20 0.51
JAK2 O60674 8/20 0.36
JAK1 P23458 8/20 0.36
TYK2 P29597 8/20 0.36
JAK3 P52333 8/20 0.36
METAP2 P50579 1/20 0.33
KCNH2 Q12809 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL2213151 0.88 PIK3CD (0.66) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2214345 0.88 PIK3CD (0.52) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1960548 0.88 PIK3CD (0.49) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2213951 0.84 PIK3CD (0.54) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2214578 0.81 PIK3CD (0.54) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212185 0.79 PIK3CD (0.63) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212654 0.77 PIK3CD (0.45) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1251763 0.72 PIK3CD (0.74) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2212954 0.72 PIK3CD (0.71) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL458944 0.72 PIK3CD (0.49) PIK3CDPIK3CBPIM1GSK3BPIK3CG

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-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed