SCHEMBL8877161

SCHEMBL8877161

NC(=O)c1n[nH]c2ccc(O)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.54
JAK1 P23458 2/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
NTRK1 P04629 1/20 0.44
WNT1 P04628 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
MAP2K4 P45985 4/20 0.42
MAPK1 P28482 2/20 0.42
MAPKAPK2 P49137 2/20 0.42
MAPKAPK3 Q16644 2/20 0.42
MAPK6 Q16659 2/20 0.42
MAPKAPK5 Q8IW41 2/20 0.42
PRKAG1 P54619 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAB1 Q9Y478 2/20 0.41
PDPK1 O15530 2/20 0.41
HSP90AB1 P08238 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
SCHEMBL8877902 0.86 JAK1 (0.65) JAK2JAK1TYK2JAK3PRKAG1
SCHEMBL23368472 0.84 GSK3B (0.47) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL1963463 0.84 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1PDPK1HSP90AB1
SCHEMBL17039120 0.81 JAK2 (0.64) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL16246796 0.81 JAK2 (0.48) JAK2JAK1NTRK1WNT1CLK2
SCHEMBL6195016 0.81 DYRK1A (0.44) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL15942818 0.81 MAP2K4 (0.62) JAK2JAK1TYK2JAK3NTRK1
SCHEMBL28575862 0.81 NTRK1 (0.58) NTRK1WNT1CLK2CLK3DYRK1A
SCHEMBL2671620 0.80 JAK2 (0.49) JAK2JAK1NTRK1WNT1CLK2
SCHEMBL10130802 0.80 JAK2 (0.60) JAK2JAK1TYK2JAK3MAP2K4

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-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed