SCHEMBL13452008

SCHEMBL13452008

COC(=O)C1CCN(Cc2cccc3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)n(C)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 2/20 0.46
MAPK14 Q16539 5/20 0.46
LYN P07948 1/20 0.43
MAPK9 P45984 1/20 0.43
BRAF P15056 10/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42

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
SCHEMBL690147 0.91 SCARB1 (0.54) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL1302167 0.91 SCARB1 (0.46) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL13986437 0.91 SCARB1 (0.48) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL13986432 0.90 MAPK14 (0.49) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL13986438 0.89 MAPK14 (0.46) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL13986452 0.89 MAPK14 (0.47) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL690505 0.89 MAPK14 (0.44) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL689701 0.88 SCARB1 (0.45) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL12103083 0.87 MAPK14 (0.46) SCARB1MAPK14LYNMAPK9BRAF
SCHEMBL689711 0.87 MAPK14 (0.45) SCARB1MAPK14LYNMAPK9BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786801-B1 2-ARYLCARBAMOYL-INDOLES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-03-10 EP disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-7470692-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed