SCHEMBL6688005

SCHEMBL6688005

Cc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(OCCN3C[C@@H](C)O[C@H](C)C3)c3ccccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 7/20 0.83
MAPK14 Q16539 8/20 0.78
MAPK12 P53778 5/20 0.78
MAPK13 O15264 3/20 0.78
MAPK11 Q15759 3/20 0.78
SRC P12931 4/20 0.65
HCK P08631 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

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
SCHEMBL6688009 1.00 TNF (0.83) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL6688007 1.00 TNF (0.83) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL6691929 1.00 TNF (0.83) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL29594134 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL295371 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL296227 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL295373 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL29593977 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL295372 0.91 TNF (1.00) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL6688829 0.88 MAPK14 (0.87) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004113352-A1 SILYLATED HETEROCYCLYLUREA DERIVATIVES AS CYTOKINE-INHIBITORS AMEDIS PHARMACEUTICALS LTD. (GB) 2004-12-29 WO claimed
WO-2004113352-A1 SILYLATED HETEROCYCLYLUREA DERIVATIVES AS CYTOKINE-INHIBITORS AMEDIS PHARMACEUTICALS LTD. (GB) 2004-12-29 WO disclosed