SCHEMBL27728869

SCHEMBL27728869

CN(C)c1ccc(C(=O)O)c(Nc2cc(C(C)(C)C)nn2-c2ccccc2CN)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.41
MAPK13 O15264 12/20 0.41
MAPK12 P53778 12/20 0.41
MAPK11 Q15759 12/20 0.41
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
DDR2 Q16832 1/20 0.37
PAK4 O96013 1/20 0.37
RET P07949 1/20 0.37
PDGFRA P16234 1/20 0.37
CDK8 P49336 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37

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
SCHEMBL27617934 0.88 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5008335 0.87 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GAA
SCHEMBL27749277 0.82 CYP2C8 (0.48) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL5007743 0.81 CLCN2 (0.51) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL27637095 0.80 ADORA1 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27637099 0.80 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL28759610 0.79 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL28754595 0.78 ADORA1 (0.42) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27617939 0.78 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11JAK2
SCHEMBL28757654 0.78 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11JAK2

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
CN-100448869-C Anilinopyrazole derivatives for the treatment of diabetes BAYER PHARMACEUTICALS CORP (US) 2009-01-07 CN disclosed