SCHEMBL6270980

SCHEMBL6270980

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3=CC(N(C)c4ccccc4)CCC3)c3ccccc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.35
TNF P01375 1/20 0.35
CDK8 P49336 1/20 0.32
MAPK13 O15264 4/20 0.32
MAPK12 P53778 4/20 0.32
MAPK11 Q15759 4/20 0.32
RAF1 P04049 1/20 0.31
BRAF P15056 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
SCHEMBL5998813 0.95 MAPK14 (0.34) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL5989027 0.95 MAPK14 (0.33) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL5988417 0.91 MAPK14 (0.34) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL5987486 0.90 TNF (0.34) MAPK14TNFCDK8
SCHEMBL5987723 0.84 MAPK14 (0.36) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL5988889 0.84 TNF (0.33) MAPK14TNF
SCHEMBL4081556 0.83 MAPK14 (0.53) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL6270455 0.83 MAPK14 (0.36) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL4092259 0.79 MAPK14 (0.51) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5991513 0.79 TNF (0.35) MAPK14TNFRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1545514-A1 ANTICOAGULANT AND FIBRINOLYTIC THERAPY USING P38 MAP KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-29 EP disclosed
EP-1530477-A1 COMBINATION THERAPY WITH p38 MAP KINASE INHIBITORS AND THEIR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-18 EP disclosed
EP-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 EP disclosed
WO-2004016267-A1 ANTICOAGULANT AND FIBRINOLYTIC THERAPY USING P38 MAP KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-26 WO 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
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed