SCHEMBL5377830

SCHEMBL5377830

O=C(O)c1ccc2[nH]nc(-c3cccc(CNC(=O)c4ccccc4)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.68
MAPK3 P27361 5/20 0.68
TTK P33981 5/20 0.67
MAP2K4 P45985 1/20 0.61
MAPKAPK3 Q16644 1/20 0.61
MAPK6 Q16659 1/20 0.61
CSNK1D P48730 1/20 0.61
ITK Q08881 1/20 0.53
NR1H4 Q96RI1 2/20 0.52
EPHX2 P34913 1/20 0.51
CYP4Z1 Q86W10 1/20 0.50

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
SCHEMBL5803542 0.92 TTK (0.68) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5388071 0.86 TTK (0.56) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5375624 0.86 TTK (0.56) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5373228 0.84 TTK (0.54) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5381231 0.82 AURKA (0.59) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL2571860 0.81 TTK (1.00) MAPK1MAPK3TTK
SCHEMBL2582534 0.81 TTK (1.00) TTK
SCHEMBL2866791 0.79 MAP2K4 (0.69) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5800300 0.79 TTK (0.57) MAPK1MAPK3TTKMAP2K4MAPKAPK3
SCHEMBL5799963 0.78 TTK (0.56) MAPK1MAPK3TTKMAP2K4MAPKAPK3

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