SCHEMBL462955

SCHEMBL462955

Cc1cc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)[nH]n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.68
PIK3CB P42338 8/20 0.68
PIM1 P11309 7/20 0.68
GSK3B P49841 7/20 0.68
PIK3CG P48736 7/20 0.68
PIK3CA P42336 7/20 0.68
HPGDS O60760 3/20 0.43
DHPS P49366 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
ERBB2 P04626 1/20 0.41
CSF1R P07333 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
SCHEMBL2214861 0.88 PIK3CD (0.65) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2214524 0.87 PIK3CD (0.73) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL15387671 0.87 PIK3CD (0.63) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1119169 0.85 PIK3CD (0.77) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1251740 0.85 PIK3CD (0.76) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL2166255 0.84 PIK3CD (0.72) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1780911 0.84 PIK3CD (0.69) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL458018 0.84 PIK3CD (0.69) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL1781520 0.83 PIK3CD (0.76) PIK3CDPIK3CBPIM1GSK3BPIK3CG
SCHEMBL456388 0.83 PIK3CD (0.70) 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 3 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
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed