SCHEMBL5388071

SCHEMBL5388071

O=C(CCc1ccccc1)NCc1cccc(-c2n[nH]c3ccc(C(=O)O)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 5/20 0.56
MAPK1 P28482 7/20 0.56
MAPK3 P27361 4/20 0.56
MAP2K4 P45985 2/20 0.55
MAPKAPK3 Q16644 1/20 0.55
MAPK6 Q16659 1/20 0.55
CSNK1D P48730 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
AURKA O14965 1/20 0.45

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
SCHEMBL5800300 0.92 TTK (0.57) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5375624 0.88 TTK (0.56) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5377830 0.86 MAPK1 (0.68) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5373228 0.82 TTK (0.54) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5381231 0.80 AURKA (0.59) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5803542 0.78 TTK (0.68) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5800463 0.78 MAP2K4 (0.56) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5377426 0.78 TTK (0.68) TTKMAPK1MAPK3MAP2K4AURKA
SCHEMBL2866791 0.77 MAP2K4 (0.69) TTKMAPK1MAPK3MAP2K4MAPKAPK3
SCHEMBL5799963 0.76 TTK (0.56) TTKMAPK1MAPK3MAP2K4MAPKAPK3

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