SCHEMBL6152746

SCHEMBL6152746

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(OCCCc2ccncc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.59
MAPK12 P53778 12/20 0.59
HCK P08631 11/20 0.59
TNF P01375 3/20 0.59
CIT O14578 1/20 0.44
MUSK O15146 1/20 0.44
MAPK13 O15264 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
NTRK1 P04629 1/20 0.44
HSPB1 P04792 1/20 0.44
PRKCB P05771 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL7844842 0.96 MAPK14 (0.64) MAPK14MAPK12HCKTNFCIT
SCHEMBL6574351 0.86 MAPK14 (0.52) MAPK14MAPK12HCKTNFCIT
SCHEMBL7854965 0.85 MAPK14 (0.47) MAPK14MAPK12HCKTNFSRC
SCHEMBL6244940 0.84 MAPK14 (0.51) MAPK14MAPK12HCKTNFCIT
SCHEMBL6575226 0.83 MAPK14 (0.54) MAPK14MAPK12HCKTNFCIT
SCHEMBL6165706 0.83 MAPK14 (0.71) MAPK14MAPK12HCKTNFCIT
SCHEMBL7854775 0.83 MAPK14 (0.60) MAPK14MAPK12HCKTNFCIT
SCHEMBL6578339 0.83 MAPK14 (0.56) MAPK14MAPK12HCKTNFCIT
SCHEMBL6572608 0.83 GAA (0.45) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL7848428 0.82 MAPK14 (0.52) MAPK14MAPK12HCKTNFCIT

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-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed