SCHEMBL6283654

SCHEMBL6283654

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3(N(C)c4cccnc4)C=CCCC3)c3ccccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.33
TNF P01375 1/20 0.33
MAPK12 P53778 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK11 Q15759 1/20 0.31
PTK2 Q05397 1/20 0.31
BRAF P15056 1/20 0.30

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
SCHEMBL6284852 0.94 TNF (0.33) MAPK14TNFMAPK12
SCHEMBL6447028 0.90 TNF (0.33) MAPK14TNF
SCHEMBL6283622 0.88 TNF (0.34) MAPK14TNF
SCHEMBL6283072 0.80 MAPK14 (0.37) MAPK14TNFMAPK12
SCHEMBL6699719 0.79 MAPK14 (0.40) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL5989027 0.76 MAPK14 (0.33) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL5995957 0.72 MAPK14 (0.38) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6270980 0.72 MAPK14 (0.35) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL5998813 0.71 MAPK14 (0.34) MAPK14TNFMAPK12MAPK13MAPK11
SCHEMBL6276867 0.70 MAPK14 (0.38) MAPK14TNFMAPK12MAPK13MAPK11

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