SCHEMBL6233077

SCHEMBL6233077

COC(=O)c1c(NC(=O)Nc2ccc(C3=CC(=O)N(c4ccncc4)CC3)c3ccccc23)cc(CC(C)(C)C)n1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.34
TNF P01375 3/20 0.32
HCK P08631 2/20 0.32
MAPK12 P53778 2/20 0.32
DDR2 Q16832 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
SCHEMBL4081051 0.82 MAPK14 (0.54) MAPK14TNFHCKMAPK12
SCHEMBL4092703 0.78 RAF1 (0.49) MAPK14MAPK12
SCHEMBL4092556 0.75 MAPK14 (0.42) MAPK14TNFHCKMAPK12
SCHEMBL4092124 0.72 MAPK14 (0.58) MAPK14TNFHCKMAPK12DDR2
SCHEMBL4098838 0.69 MAPK14 (0.56) MAPK14TNFHCKMAPK12DDR2
SCHEMBL5732948 0.56 MAPK14 (0.63) MAPK14TNFHCKMAPK12DDR2
SCHEMBL6162316 0.54 MAPK14 (0.61) MAPK14TNFHCKMAPK12
SCHEMBL6166487 0.54 MAPK14 (0.60) MAPK14TNFHCKMAPK12
SCHEMBL6163413 0.54 MAPK14 (0.53) MAPK14TNFHCKMAPK12
SCHEMBL6167100 0.53 RAF1 (0.57) MAPK14MAPK12

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
EP-1530477-A1 COMBINATION THERAPY WITH p38 MAP KINASE INHIBITORS AND THEIR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-18 EP disclosed
WO-2004014387-A1 COMBINATION THERAPY WITH p38 MAP KINASE INHIBITORS AND THEIR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 WO disclosed