SCHEMBL6525916

SCHEMBL6525916

COc1nccc(-c2[nH]c(-c3ccc(CN(S(C)(=O)=O)S(C)(=O)=O)cc3)nc2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.50
ALOX5 P09917 10/20 0.49
CSNK1D P48730 3/20 0.47
JAK3 P52333 1/20 0.47
MAPK11 Q15759 4/20 0.45
ALDH1A1 P00352 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1E P49674 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CSNK1A1L Q8N752 1/20 0.45
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
GCGR P47871 2/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
TGFBR1 P36897 1/20 0.41

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
SCHEMBL4585785 0.88 ALOX5 (0.64) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL6471800 0.81 MAPK14 (0.49) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL4586510 0.79 MAPK14 (0.61) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL4586451 0.77 MAPK14 (0.51) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL4584148 0.77 ALOX5 (0.58) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL5078081 0.72 ALOX5 (0.76) MAPK14ALOX5CSNK1DMAPK11ALDH1A1
SCHEMBL4586521 0.72 MAPK14 (0.51) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL4977359 0.72 MAPK14 (0.56) MAPK14ALOX5CSNK1DJAK3MAPK11
SCHEMBL8113515 0.70 CSNK1D (0.56) MAPK14CSNK1DJAK3MAPK11CSNK1A1
SCHEMBL7665444 0.69 MAPK14 (0.52) MAPK14CSNK1DJAK3MAPK11CSNK1A1

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-2005030091-A2 STENTS AND INTRA-LUMINAL PROSTHESES CONTAINING MAP KINASE INHIBITORS SCIOS INC. (US) 2005-04-07 WO disclosed