SCHEMBL4749530

SCHEMBL4749530

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOC(OC(=O)Nc4ccccc4)C3)c3ccccc23)cn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.76
MAPK14 Q16539 7/20 0.76
DDR2 Q16832 4/20 0.65
MAPK13 O15264 2/20 0.65
MAPK12 P53778 2/20 0.65
MAPK11 Q15759 2/20 0.65
CIT O14578 1/20 0.65
MUSK O15146 1/20 0.65
MAP3K7 O43318 1/20 0.65
RIPK2 O43353 1/20 0.65
STK10 O94804 1/20 0.65
MAP4K4 O95819 1/20 0.65
CHEK2 O96017 1/20 0.65
ABL1 P00519 1/20 0.65
EGFR P00533 1/20 0.65
RAF1 P04049 1/20 0.65
NTRK1 P04629 1/20 0.65
HSPB1 P04792 1/20 0.65
PRKCB P05771 1/20 0.65
LCK P06239 1/20 0.65

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
SCHEMBL4743526 0.94 TNF (0.74) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4689819 0.91 TNF (0.77) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4747147 0.91 TNF (0.77) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4744005 0.90 MAPK14 (0.73) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4689692 0.89 TNF (0.79) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4687358 0.88 TNF (0.77) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4686686 0.88 TNF (0.79) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4743577 0.87 TNF (0.76) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4686576 0.87 TNF (0.77) TNFMAPK14DDR2MAPK13MAPK12
SCHEMBL4690672 0.87 TNF (0.76) TNFMAPK14DDR2MAPK13MAPK12

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