SCHEMBL13848623

SCHEMBL13848623

CCc1c(-c2cn(-c3cc(C(=O)Nc4cc(C5(C)CC5)cc(N[S+](C)[O-])c4OC)ccc3C)cn2)cnn1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.37
RIPK2 O43353 2/20 0.33
MAPK11 Q15759 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP3K5 Q99683 1/20 0.31

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
SCHEMBL4031621 0.89 MAPK14 (0.38) MAPK14RIPK2
SCHEMBL13848991 0.89 MAPK14 (0.37) MAPK14RIPK2MAPK11ALDH1A1MAPK1
SCHEMBL301820 0.85 BRAF (0.41)
SCHEMBL14297794 0.81 RAB9A (0.35) MAPK14RIPK2MAPK11
SCHEMBL13887716 0.80 MAPK14 (0.35) MAPK14RIPK2
SCHEMBL302476 0.79 MAPK14 (0.39) MAPK14
SCHEMBL13848693 0.79 MAPK14 (0.40) MAPK14RIPK2MAPK11
SCHEMBL4035041 0.79 BRAF (0.45) MAPK14
SCHEMBL4034585 0.78 BRAF (0.43) MAPK14
SCHEMBL304557 0.77 MAPK14 (0.39) MAPK14RIPK2MAPK11ALDH1A1MAPK1

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
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed