SCHEMBL4746321

SCHEMBL4746321

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOC(OC(=O)N(C)C)C3)c3ccccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 9/20 0.75
MAPK14 Q16539 9/20 0.75
MAPK12 P53778 4/20 0.75
MAPK13 O15264 3/20 0.75
MAPK11 Q15759 3/20 0.75
DDR2 Q16832 2/20 0.75
HCK P08631 2/20 0.75
CIT O14578 1/20 0.75
MUSK O15146 1/20 0.75
MAP3K7 O43318 1/20 0.75
RIPK2 O43353 1/20 0.75
STK10 O94804 1/20 0.75
MAP4K4 O95819 1/20 0.75
CHEK2 O96017 1/20 0.75
ABL1 P00519 1/20 0.75
EGFR P00533 1/20 0.75
RAF1 P04049 1/20 0.75
NTRK1 P04629 1/20 0.75
HSPB1 P04792 1/20 0.75
PRKCB P05771 1/20 0.75

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
SCHEMBL4747147 0.94 TNF (0.77) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4744728 0.94 MAPK14 (0.72) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4743577 0.92 TNF (0.76) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4749811 0.90 TNF (0.74) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4743526 0.90 TNF (0.74) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4688225 0.90 TNF (0.76) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL13524384 0.89 TNF (0.84) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL4687473 0.89 TNF (0.74) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL294498 0.89 TNF (0.76) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL20876938 0.89 TNF (0.76) TNFMAPK14MAPK12MAPK13MAPK11

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