SCHEMBL20569742

SCHEMBL20569742

CC(C)(C)c1cc(NC(=O)O)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.61
MAPK14 Q16539 13/20 0.60
MAPK13 O15264 11/20 0.60
MAPK12 P53778 11/20 0.60
MAPK11 Q15759 11/20 0.60
NTRK1 P04629 1/20 0.58
NTRK2 Q16620 1/20 0.58
JAK2 O60674 1/20 0.56
DDR2 Q16832 2/20 0.55
GAA P10253 1/20 0.55
MAPK9 P45984 1/20 0.54
CDK8 P49336 1/20 0.53

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
SCHEMBL28559569 0.87 MAPK14 (0.57) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2084076 0.85 MAPK14 (0.55) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082582 0.84 MAPK14 (0.76) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079359 0.84 MAP3K7 (0.63) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2082687 0.83 MAP3K7 (0.64) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083118 0.83 MAPK14 (0.70) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080978 0.83 MAP3K7 (0.62) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2083711 0.83 MAP3K7 (0.57) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081550 0.83 MAP3K7 (0.64) MAP3K7MAPK14MAPK13MAPK12MAPK11
SCHEMBL2616940 0.83 MAP3K7 (0.64) MAP3K7MAPK14MAPK13MAPK12MAPK11

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-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed