SCHEMBL6249247

SCHEMBL6249247

CC(C)(C)c1ccc([Si](C)(C)C)cc1NC(=O)Nc1ccc(N2CCC(CN3CCOCC3)CC2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
TNF P01375 6/20 0.42
BRAF P15056 2/20 0.40
ABL1 P00519 2/20 0.40
RAF1 P04049 2/20 0.40
LYN P07948 2/20 0.40
SRC P12931 2/20 0.40
MAPK9 P45984 2/20 0.40
DDR2 Q16832 2/20 0.40
CIT O14578 1/20 0.40
MUSK O15146 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL6248487 0.86 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL4082137 0.83 THRB (0.50) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6249256 0.82 MAPT (0.48) MAPK14MAPK13MAPK12MAPK11THRB
SCHEMBL4092545 0.81 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6913451 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5384351 0.80 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL4095891 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL4092120 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5388339 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL7690668 0.72 MAPK14 (0.75) 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-2005044825-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-05-19 WO claimed
WO-2005044825-A1 SILICON COMPOUNDS AND THEIR USE AMEDIS PHARMACEUTICALS LTD. (GB) 2005-05-19 WO disclosed