SCHEMBL6693705

SCHEMBL6693705

COc1ccc(-n2nc([Si](C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cn1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.83
MAPK14 Q16539 11/20 0.81
MAPK13 O15264 4/20 0.81
MAPK12 P53778 4/20 0.81
MAPK11 Q15759 4/20 0.81
SRC P12931 4/20 0.67
DDR2 Q16832 2/20 0.67
CIT O14578 1/20 0.67
MUSK O15146 1/20 0.67
MAP3K7 O43318 1/20 0.67
RIPK2 O43353 1/20 0.67
STK10 O94804 1/20 0.67
MAP4K4 O95819 1/20 0.67
CHEK2 O96017 1/20 0.67
ABL1 P00519 1/20 0.67
EGFR P00533 1/20 0.67
RAF1 P04049 1/20 0.67
NTRK1 P04629 1/20 0.67
HSPB1 P04792 1/20 0.67
PRKCB P05771 1/20 0.67

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
SCHEMBL6693190 0.92 MAPK14 (0.84) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL294966 0.91 TNF (1.00) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL29594348 0.91 TNF (1.00) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6691191 0.90 MAPK14 (0.89) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6694382 0.89 MAPK14 (1.00) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6696049 0.88 MAPK14 (0.85) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6690947 0.87 MAPK14 (0.83) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6697785 0.86 MAPK14 (0.80) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6688831 0.84 MAPK14 (0.76) TNFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6693424 0.83 MAPK14 (0.87) TNFMAPK14MAPK13MAPK12MAPK11

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