SCHEMBL6697841

SCHEMBL6697841

Cc1ccc(-n2nc([Si](C)(C)CO)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.87
MAPK13 O15264 3/20 0.87
MAPK12 P53778 3/20 0.87
MAPK11 Q15759 3/20 0.87
TNF P01375 7/20 0.80
DDR2 Q16832 2/20 0.80
CIT O14578 1/20 0.80
MUSK O15146 1/20 0.80
MAP3K7 O43318 1/20 0.80
RIPK2 O43353 1/20 0.80
STK10 O94804 1/20 0.80
MAP4K4 O95819 1/20 0.80
CHEK2 O96017 1/20 0.80
ABL1 P00519 1/20 0.80
EGFR P00533 1/20 0.80
RAF1 P04049 1/20 0.80
NTRK1 P04629 1/20 0.80
HSPB1 P04792 1/20 0.80
PRKCB P05771 1/20 0.80
LCK P06239 1/20 0.80

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
SCHEMBL6688252 0.94 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6694382 0.93 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6693424 0.91 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL26051142 0.91 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL20386658 0.90 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11TNF
Doramapimod SCHEMBL29353023 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
Doramapimod SCHEMBL129721 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL295302 0.88 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
Doramapimod SCHEMBL10320344 0.88 MAPK14 (0.98) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6691191 0.87 MAPK14 (0.89) MAPK14MAPK13MAPK12MAPK11TNF

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