SCHEMBL6283072

SCHEMBL6283072

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3(NCCc4ccccn4)C=CCCC3)c3ccccc23)cn1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.37
MAPK12 P53778 4/20 0.37
TNF P01375 1/20 0.34
PTK2B Q14289 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCK P08631 2/20 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
SCHEMBL6699719 0.88 MAPK14 (0.40) MAPK14MAPK12TNFPTK2BHCK
SCHEMBL6284852 0.80 TNF (0.33) MAPK14MAPK12TNFHCK
SCHEMBL6283654 0.80 MAPK14 (0.33) MAPK14MAPK12TNF
SCHEMBL6283622 0.78 TNF (0.34) MAPK14TNFSMN1; SMN2
SCHEMBL5995957 0.71 MAPK14 (0.38) MAPK14MAPK12TNFPTK2BHCK
SCHEMBL6270455 0.70 MAPK14 (0.36) MAPK14MAPK12TNFHCK
SCHEMBL5991513 0.70 TNF (0.35) MAPK14TNF
SCHEMBL6276867 0.69 MAPK14 (0.38) MAPK14MAPK12TNFPTK2BHCK
SCHEMBL5988417 0.69 MAPK14 (0.34) MAPK14MAPK12TNF
SCHEMBL5987977 0.69 RAF1 (0.39) MAPK14MAPK12TNFHCK

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