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SCHEMBL6284852

SCHEMBL6284852

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3(N(C)c4ccncc4)C=CCCC3)c3ccccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ HCK P08631 1/20 0.30
▸ MAPK12 P53778 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
SCHEMBL6283654 0.94 MAPK14 (0.33) TNFMAPK14MAPK12
SCHEMBL6447028 0.91 TNF (0.33) TNFMAPK14
SCHEMBL6283622 0.89 TNF (0.34) TNFMAPK14
SCHEMBL6283072 0.80 MAPK14 (0.37) TNFMAPK14HCKMAPK12
SCHEMBL6699719 0.79 MAPK14 (0.40) TNFMAPK14HCKMAPK12
SCHEMBL5998813 0.76 MAPK14 (0.34) TNFMAPK14HCKMAPK12
SCHEMBL301041 0.74 CDK8 (0.46) TNFMAPK14HCKMAPK12
SCHEMBL5995957 0.73 MAPK14 (0.38) TNFMAPK14HCKMAPK12
SCHEMBL6275274 0.72 RAF1 (0.40) TNFMAPK14HCKMAPK12
SCHEMBL5989027 0.71 MAPK14 (0.33) TNFMAPK14HCKMAPK12

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