SCHEMBL5377449

SCHEMBL5377449

O=C(O)c1ccc2[nH]nc(-c3cccc(NS(=O)(=O)Cc4ccccc4)c3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.56
TTK P33981 7/20 0.55
AURKA O14965 8/20 0.52
AURKB Q96GD4 5/20 0.52
MAPK1 P28482 2/20 0.52
MAP2K4 P45985 1/20 0.52
MAPKAPK3 Q16644 1/20 0.52
MAPK6 Q16659 1/20 0.52
BRD4 O60885 1/20 0.49
MAPK3 P27361 1/20 0.48
SGK1 O00141 1/20 0.48

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
SCHEMBL5799339 0.92 TTK (0.55) CSNK1DTTKAURKAAURKBMAP2K4
SCHEMBL5392302 0.84 AURKA (0.68) CSNK1DTTKAURKAAURKBMAPK1
SCHEMBL5397823 0.84 CSNK1D (0.54) CSNK1DTTKAURKAAURKBMAPK1
SCHEMBL1460985 0.84 AURKB (0.67) CSNK1DTTKAURKAAURKBMAPK1
SCHEMBL5383080 0.82 TTK (0.51) CSNK1DTTKAURKAAURKBBRD4
SCHEMBL5381231 0.80 AURKA (0.59) TTKAURKAMAPK1MAP2K4MAPKAPK3
SCHEMBL5372788 0.79 AURKA (0.68) CSNK1DTTKAURKAAURKBMAPK1
SCHEMBL6797222 0.77 HPGD (0.58) MAPK1
SCHEMBL2866791 0.77 MAP2K4 (0.69) CSNK1DTTKAURKBMAPK1MAP2K4
SCHEMBL5799264 0.76 AURKA (0.69) CSNK1DTTKAURKAAURKBMAP2K4

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