SCHEMBL5377947

SCHEMBL5377947

NC(=O)c1ccc2[nH]nc(-c3cccc(NC(=O)O)c3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.63
AURKA O14965 9/20 0.54
MAPK1 P28482 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
MAPKAPK3 Q16644 1/20 0.54
MAPK6 Q16659 1/20 0.54
MAPKAPK5 Q8IW41 1/20 0.54
TTK P33981 4/20 0.54
MAPK8 P45983 2/20 0.54
MAP2K7 O14733 1/20 0.52
AURKB Q96GD4 3/20 0.52
MAP3K5 Q99683 2/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
CSNK1D P48730 1/20 0.50
PIM1 P11309 1/20 0.49

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
SCHEMBL5785886 0.91 AURKA (0.66) MAP2K4AURKAMAPK1MAPKAPK2MAPKAPK3
SCHEMBL12073910 0.89 TTK (0.65) MAP2K4AURKAMAPK1MAPKAPK2MAPKAPK3
SCHEMBL5379163 0.86 TTK (0.67) MAP2K4AURKATTKMAPK8AURKB
SCHEMBL5801915 0.86 TTK (0.60) MAP2K4AURKAMAPK1MAPKAPK2MAPKAPK3
SCHEMBL5800458 0.86 MAP2K4 (0.53) MAP2K4AURKATTKMAPK8MAP2K7
SCHEMBL5381639 0.85 AAK1 (0.59) MAP2K4AURKATTKMAPK8MAP2K7
SCHEMBL7533484 0.85 MAP2K4 (0.59) MAP2K4AURKAMAPK1MAPKAPK2MAPKAPK3
SCHEMBL5399319 0.85 AURKA (0.56) MAP2K4AURKAMAPKAPK2TTKMAPK8
SCHEMBL5372815 0.85 MAP2K4 (0.56) MAP2K4AURKAMAPK1MAPKAPK2MAPKAPK3
SCHEMBL14514461 0.85 AURKA (0.54) MAP2K4AURKAMAPK1TTKMAPK8

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-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed