SCHEMBL13810936

SCHEMBL13810936

Cc1ccc(O)cc1-c1ccc2[nH]nc(N)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.52
JAK3 P52333 6/20 0.52
TYK2 P29597 4/20 0.52
JAK1 P23458 1/20 0.52
MAPK1 P28482 2/20 0.48
MAP2K4 P45985 1/20 0.48
MAPKAPK2 P49137 1/20 0.48
MAPKAPK3 Q16644 1/20 0.48
MAPK6 Q16659 1/20 0.48
MAPKAPK5 Q8IW41 1/20 0.48
DAPK3 O43293 4/20 0.45
MAP4K4 O95819 4/20 0.45
CLK2 P49760 4/20 0.45
CDK5 Q00535 4/20 0.45
ROCK1 Q13464 4/20 0.45
DYRK1A Q13627 4/20 0.45
AURKB Q96GD4 4/20 0.45
CLK4 Q9HAZ1 4/20 0.45
CDC7 O00311 3/20 0.45
PRKD3 O94806 3/20 0.45

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
SCHEMBL10213932 0.80 JAK2 (0.72) JAK2JAK3TYK2JAK1MAPK1
SCHEMBL10130802 0.79 JAK2 (0.60) JAK2JAK3TYK2JAK1MAPK1
Hydrochloric Acid SCHEMBL10369298 0.78 JAK2 (0.58) JAK2JAK3TYK2JAK1MAPK1
SCHEMBL30494222 0.77 CLK2 (0.62) JAK2JAK3TYK2JAK1DAPK3
SCHEMBL26463432 0.77 CLK2 (0.62) JAK2JAK3TYK2JAK1DAPK3
SCHEMBL10213901 0.76 JAK2 (0.71) JAK2JAK3TYK2JAK1DAPK3
SCHEMBL10213929 0.76 JAK2 (0.81) JAK2JAK3TYK2JAK1DAPK3
SCHEMBL12907219 0.75 JAK2 (0.68) JAK2JAK3TYK2JAK1MAPK1
SCHEMBL4482791 0.74 JAK2 (0.54) JAK2JAK3ROCK1AURKBCDK2
SCHEMBL12907187 0.73 JAK2 (0.72) JAK2JAK3TYK2JAK1DAPK3

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
EP-1765788-B1 3-AMINOINDAZOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SGK-ASSOCIATED DISEASES MERCK PATENT GMBH (DE) 2009-06-03 EP disclosed