SCHEMBL12907397

SCHEMBL12907397

C=S(C)(=O)c1ccc(-c2ccc3c(N)n[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.59
PDPK1 O15530 4/20 0.57
SGK1 O00141 12/20 0.56
JAK3 P52333 2/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
CDK1 P06493 1/20 0.51
ROS1 P08922 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
KDR P35968 1/20 0.51
CLK2 P49760 1/20 0.51
MAPK12 P53778 1/20 0.51
CSNK2A1 P68400 1/20 0.51

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
SCHEMBL12907131 0.88 JAK2 (0.62) JAK2PDPK1SGK1JAK3CDC7
SCHEMBL12907208 0.83 JAK2 (0.80) JAK2PDPK1SGK1JAK3PLK4
SCHEMBL12907224 0.79 PDPK1 (0.62) JAK2PDPK1SGK1AURKB
SCHEMBL12907458 0.77 JAK2 (0.67) JAK2PDPK1JAK3CDC7PLK4
SCHEMBL6479941 0.77 JAK2 (0.72) JAK2PDPK1SGK1JAK3CDK2
SCHEMBL12907248 0.77 JAK2 (0.74) JAK2JAK3CDC7PLK4DAPK3
SCHEMBL421269 0.76 JAK2 (0.77) JAK2PDPK1SGK1JAK3CDK2
SCHEMBL3361070 0.75 JAK2 (1.00) JAK2PDPK1SGK1JAK3CDK2
SCHEMBL12907241 0.75 JAK2 (1.00) JAK2PDPK1SGK1JAK3CDK2
SCHEMBL12907464 0.74 SGK1 (0.51) JAK2PDPK1SGK1JAK3CDC7

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
US-7872039-B2 N-3-chlorobenzyl-3-amino-1H-indazole-5-carboxamide; 3-aminoindazoles; glucocorticoid-depedent kinase (SGK) inhibitors; SGK-induced diseases; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular diseases and renal diseases, fibrosis; inflammatory agents MERCK PATENT GESELLSCHAFT (DE) 2011-01-18 US disclosed