SCHEMBL5285564

SCHEMBL5285564

Cc1cccc(N)c1Nc1ccc2c(c1)CC(C)(C)C2=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL5296159 0.83 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3051840 0.82 TSHR (0.37) MAPK14MAPK13MAPK12MAPK11GRM1
SCHEMBL3063392 0.80 MAPK14 (0.50) MAPK14RAPGEF4
SCHEMBL5286949 0.78 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL3051914 0.77 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27706509 0.74 MAPK14 (0.34) MAPK14MAPK13MAPK12MAPK11GRM1
SCHEMBL27727217 0.73 ALDH1A1 (0.48)
SCHEMBL5293741 0.73 MAPK14 (0.58) MAPK14
SCHEMBL5075615 0.73 MAPK14 (0.34) MAPK14HDAC6
SCHEMBL5289299 0.72 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11

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
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed