SCHEMBL5812166

SCHEMBL5812166

O=CN(CCCCC(=O)O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.41
MAP2K4 P45985 7/20 0.41
MAPK6 Q16659 4/20 0.41
MAPK8 P45983 2/20 0.40
MAPKAPK3 Q16644 3/20 0.39
GSK3B P49841 1/20 0.36
NTRK1 P04629 1/20 0.36
CSNK1D P48730 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
MAPKAPK5 Q8IW41 1/20 0.35
TTK P33981 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL5375056 0.87 MAP2K4 (0.39) MAPK1MAP2K4MAPK6MAPK8MAPKAPK3
SCHEMBL5378102 0.85 MAP2K4 (0.41) MAPK1MAP2K4MAPK6MAPK8MAPKAPK3
SCHEMBL5377641 0.82 NTRK1 (0.43) MAPK1MAP2K4MAPK8NTRK1CSNK1D
SCHEMBL5372830 0.80 NTRK1 (0.44) MAPK1MAP2K4MAPK8NTRK1CSNK1D
SCHEMBL5379444 0.78 MAPK1 (0.42) MAPK1MAP2K4MAPK6MAPK8MAPKAPK3
SCHEMBL5382869 0.78 EGFR (0.45) CSNK1DMAPK13MAPK12MAPK11MAPK14
SCHEMBL5380035 0.77 NTRK1 (0.47) MAPK1MAP2K4NTRK1CSNK1D
SCHEMBL5377517 0.74 NTRK1 (0.42) MAPK1MAP2K4NTRK1CSNK1DTTK
SCHEMBL5376638 0.74 LRRK2 (0.44) MAPK1MAP2K4MAPK6MAPKAPK3NTRK1
SCHEMBL5373018 0.74 NAMPT (0.40) MAPK1NTRK1CSNK1DMAPK14

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-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed