SCHEMBL5801740

SCHEMBL5801740

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 9/20 0.65
TTK P33981 3/20 0.58
MAPK8 P45983 2/20 0.58
MAPK1 P28482 3/20 0.55
MAPK6 Q16659 3/20 0.55
MAPKAPK3 Q16644 2/20 0.55
MAPKAPK2 P49137 1/20 0.55
MAPKAPK5 Q8IW41 1/20 0.55
MAP2K7 O14733 1/20 0.53
PIM1 P11309 2/20 0.53
HPGDS O60760 1/20 0.51
MAP3K5 Q99683 1/20 0.51
FYN P06241 1/20 0.50
PARP1 P09874 1/20 0.50
CHEK2 O96017 1/20 0.46
MAPK10 P53779 1/20 0.46
MAPK14 Q16539 1/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL2858476 0.88 MAP2K4 (0.68) MAP2K4TTKMAPK1MAPK6MAPKAPK3
Ethylene SCHEMBL27536148 0.86 MAP2K4 (0.65) MAP2K4TTKMAPK1MAPK6MAPKAPK3
SCHEMBL5374481 0.85 MAP2K4 (0.67) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL3756031 0.85 MAP2K4 (0.67) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL2868599 0.85 MAP2K4 (0.57) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL2869817 0.85 MAP2K4 (0.54) MAP2K4TTKMAPK1MAPK6MAPKAPK3
Hydrochloric Acid SCHEMBL27750633 0.84 MAP2K4 (0.65) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL2860913 0.84 MAP2K4 (0.61) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL5377609 0.81 MAP2K4 (0.65) MAP2K4TTKMAPK8MAPK1MAPK6
SCHEMBL27558704 0.81 TTK (0.56) MAP2K4TTKCHEK2NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618093-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS Signal Pharmaceuticals LLC (US) 2006-01-25 EP disclosed
WO-2004094388-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2004-11-04 WO disclosed