SCHEMBL4745786

SCHEMBL4745786

CN(C(=O)OC1CN(CCOc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c3ccccc23)CCO1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.69
TNF P01375 7/20 0.61
MAPK13 O15264 2/20 0.61
MAPK12 P53778 2/20 0.61
MAPK11 Q15759 2/20 0.61
DDR2 Q16832 2/20 0.58
CIT O14578 1/20 0.58
MUSK O15146 1/20 0.58
MAP3K7 O43318 1/20 0.58
RIPK2 O43353 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
ABL1 P00519 1/20 0.58
EGFR P00533 1/20 0.58
RAF1 P04049 1/20 0.58
NTRK1 P04629 1/20 0.58
HSPB1 P04792 1/20 0.58
PRKCB P05771 1/20 0.58
LCK P06239 1/20 0.58

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
SCHEMBL4744728 0.92 MAPK14 (0.72) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4689535 0.90 MAPK14 (0.70) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4744005 0.90 MAPK14 (0.73) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4747197 0.88 MAPK14 (0.73) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4686661 0.85 MAPK14 (0.74) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4686541 0.85 MAPK14 (0.76) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4746321 0.85 TNF (0.75) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4686491 0.84 MAPK14 (0.72) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4693412 0.84 MAPK14 (0.74) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4689764 0.83 MAPK14 (0.73) MAPK14TNFMAPK13MAPK12MAPK11

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
EP-1480973-B1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2008-02-13 EP claimed