SCHEMBL5380958

SCHEMBL5380958

CCNC(=O)Nc1cccc(-c2n[nH]c3ccc(C(=O)O)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.58
TTK P33981 3/20 0.55
MAPK8 P45983 1/20 0.55
ITK Q08881 1/20 0.52
MAPK1 P28482 4/20 0.51
MAP2K4 P45985 2/20 0.51
MAPKAPK3 Q16644 2/20 0.51
MAPK6 Q16659 2/20 0.51
AURKB Q96GD4 3/20 0.49
PLK4 O00444 1/20 0.49
CHEK2 O96017 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CSNK1D P48730 1/20 0.48
MAP2K7 O14733 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL5783999 0.91 AURKA (0.57) AURKATTKMAPK8ITKMAPK1
SCHEMBL5372788 0.88 AURKA (0.68) AURKATTKMAPK8ITKMAPK1
SCHEMBL5381231 0.88 AURKA (0.59) AURKATTKITKMAPK1MAP2K4
SCHEMBL5383159 0.84 MAPK1 (0.54) AURKATTKITKMAPK1MAP2K4
SCHEMBL5424790 0.84 NPC1 (0.54) AURKATTKMAPK8ITKMAPK1
SCHEMBL5386918 0.83 TTK (0.56) AURKATTKMAPK8ITKMAPK1
SCHEMBL2859988 0.82 ITK (0.57) AURKATTKMAPK8ITKMAPK1
SCHEMBL5381326 0.80 HTR3A (0.51) AURKATTK
SCHEMBL5800969 0.80 TTK (0.59) AURKATTKITKMAPK1MAP2K4
SCHEMBL5785886 0.79 AURKA (0.66) AURKATTKMAPK8ITKMAPK1

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