SCHEMBL6447028

SCHEMBL6447028

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3(N(C)c4ccccn4)C=CCCC3)c3ccccc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.33
MAPK14 Q16539 1/20 0.33

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 0.91 TNF (0.33) TNFMAPK14
SCHEMBL6283654 0.90 MAPK14 (0.33) TNFMAPK14
SCHEMBL6283622 0.89 TNF (0.34) TNFMAPK14
SCHEMBL6283072 0.83 MAPK14 (0.37) TNFMAPK14
SCHEMBL6699719 0.79 MAPK14 (0.40) TNFMAPK14
SCHEMBL5988417 0.76 MAPK14 (0.34) TNFMAPK14
SCHEMBL5995957 0.74 MAPK14 (0.38) TNFMAPK14
SCHEMBL6276867 0.72 MAPK14 (0.38) TNFMAPK14
SCHEMBL6270980 0.69 MAPK14 (0.35) TNFMAPK14
SCHEMBL5998813 0.69 MAPK14 (0.34) TNFMAPK14

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-1496900-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-19 EP disclosed
WO-2003084539-A2 NEW PHARMACEUTICAL COMPOSITIONS BASED ON ANTICHOLINERGICS AND P38 KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-10-16 WO disclosed