SCHEMBL15026596

SCHEMBL15026596

CCOC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC2(Cl)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
NTRK1 P04629 4/20 0.46
NTRK2 Q16620 3/20 0.46
MAPK14 Q16539 7/20 0.46
MAPK9 P45984 2/20 0.46
DDR2 Q16832 2/20 0.46
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
NFE2 Q16621 1/20 0.46
HPGD P15428 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PRKD3 O94806 1/20 0.43
RET P07949 1/20 0.43
PDGFRA P16234 1/20 0.43
CDK8 P49336 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15008960 0.86 JAK2 (0.48) JAK2NTRK1NTRK2MAPK14MAPK9
SCHEMBL399424 0.83 MAPK14 (0.55) JAK2NTRK1NTRK2MAPK14MAPK9
SCHEMBL3185484 0.80 MAPK14 (0.73) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL2083858 0.79 MAPK14 (0.74) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL13532240 0.79 JAK2 (0.50) JAK2NTRK1NTRK2MAPK14MAPK9
SCHEMBL2082640 0.78 MAPK14 (0.72) MAPK14MAPK11
SCHEMBL2083912 0.78 MAPK14 (0.61) MAPK14MAPK9DDR2MAPK13MAPK12
SCHEMBL2082244 0.77 MAPK14 (0.68) JAK2NTRK1NTRK2MAPK14MAPK9
SCHEMBL2083160 0.76 MAPK14 (0.59) JAK2NTRK1NTRK2MAPK14MAPK9
SCHEMBL4223376 0.76 MAPK14 (0.73) JAK2NTRK1NTRK2MAPK14MAPK9

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
WO-2013083604-A1 KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-13 WO disclosed