SCHEMBL6668014

SCHEMBL6668014

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(OCCN2CCOC(C(=O)Nc3ccccc3)C2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.55
TNF P01375 6/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
DDR2 Q16832 4/20 0.50
CIT O14578 1/20 0.50
MUSK O15146 1/20 0.50
MAP3K7 O43318 1/20 0.50
RIPK2 O43353 1/20 0.50
STK10 O94804 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50
ABL1 P00519 1/20 0.50
EGFR P00533 1/20 0.50
RAF1 P04049 1/20 0.50
NTRK1 P04629 1/20 0.50
HSPB1 P04792 1/20 0.50
PRKCB P05771 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL6668290 0.94 MAPK14 (0.55) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6667245 0.90 MAPK14 (0.54) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6259064 0.88 MAPK14 (0.55) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6573789 0.87 MAPK14 (0.55) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6165706 0.87 MAPK14 (0.71) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6666221 0.85 MAPK14 (0.52) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL7854775 0.84 MAPK14 (0.60) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4689764 0.83 MAPK14 (0.73) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4689412 0.82 TNF (0.75) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6256589 0.82 MAPK14 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480973-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-01 EP disclosed
WO-2003072569-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed