SCHEMBL8877902

SCHEMBL8877902

NC(=O)c1n[nH]c2cc(O)ccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.65
JAK2 O60674 3/20 0.65
TYK2 P29597 3/20 0.65
JAK3 P52333 3/20 0.65
PDPK1 O15530 1/20 0.53
HSP90AB1 P08238 1/20 0.53
ESR1 P03372 1/20 0.50
FGFR1 P11362 3/20 0.44
FGFR2 P21802 3/20 0.44
FGFR3 P22607 2/20 0.44
IDO1 P14902 2/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL8877161 0.86 JAK2 (0.54) JAK1JAK2TYK2JAK3PDPK1
SCHEMBL28258656 0.84 CHEK1 (0.53) JAK1JAK2TYK2JAK3PRKAB2
SCHEMBL176936 0.84 PRKAG1 (0.55) JAK1JAK2TYK2JAK3PDPK1
SCHEMBL13302523 0.83 PDPK1 (0.53) JAK1JAK2TYK2JAK3PDPK1
SCHEMBL15541582 0.81 JAK2 (0.53) JAK1JAK2TYK2JAK3ITGB3
SCHEMBL15540985 0.81 MAP2K4 (0.52) JAK1JAK2TYK2JAK3PRKAB2
SCHEMBL13386744 0.81 JAK2 (0.50) JAK1JAK2TYK2JAK3PRKAB2
SCHEMBL16252829 0.81 MAP2K4 (0.52) JAK1JAK2TYK2JAK3
SCHEMBL19208914 0.81 JAK2 (0.59) JAK1JAK2TYK2JAK3PDPK1
SCHEMBL15652982 0.79 JAK2 (0.48) JAK1JAK2TYK2JAK3IDO1

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-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed