SCHEMBL6574700

SCHEMBL6574700

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(C#CCOC2CCCCO2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.36
TNF P01375 4/20 0.34
MAPK12 P53778 3/20 0.34
MAPK13 O15264 2/20 0.34
MAPK11 Q15759 2/20 0.34
ABL1 P00519 2/20 0.34
RAF1 P04049 2/20 0.34
LYN P07948 2/20 0.34
SRC P12931 2/20 0.34
MAPK9 P45984 2/20 0.34
CIT O14578 1/20 0.34
MUSK O15146 1/20 0.34
MAP3K7 O43318 1/20 0.34
RIPK2 O43353 1/20 0.34
STK10 O94804 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
HSPB1 P04792 1/20 0.34

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
SCHEMBL6256612 0.88 MAPK14 (0.34) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6273738 0.84 MAPK14 (0.43) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL7855117 0.84 MAPK14 (0.38) MAPK14TNFMAPK12SRCHCK
SCHEMBL5618849 0.83 MAPK14 (0.38) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL7859356 0.82 MAPK14 (0.39) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL297067 0.81 MAPK14 (0.55) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL20876951 0.81 MAPK14 (0.55) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6261357 0.80 MAPK14 (0.39) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL7857784 0.80 MAPK14 (0.33) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL5619598 0.79 GSK3A (0.41) MAPK14ABL1RAF1LYNSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP disclosed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed
EP-1147104-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-10-24 EP disclosed
WO-2000043384-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO disclosed