SCHEMBL6669500

SCHEMBL6669500

CC(C)(C)N1CCC(c2cc(-c3ccccc3)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.66
MAPK11 Q15759 5/20 0.50
MAPK13 O15264 4/20 0.50
MAPK12 P53778 4/20 0.50

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
SCHEMBL6667801 0.86 MAPK14 (0.75) MAPK14MAPK11
SCHEMBL6666980 0.80 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669691 0.76 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6865876 0.73 MAPK14 (0.82) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6665813 0.73 MAPK14 (0.87) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6690360 0.71 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6694639 0.71 MAPK14 (0.62) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669059 0.69 MAPK14 (0.89) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6870099 0.69 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6694827 0.69 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 WO disclosed