SCHEMBL6694639

SCHEMBL6694639

CC(C)(C)N1CCC(Nc2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.62
MAPK11 Q15759 2/20 0.55
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47

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
SCHEMBL6667417 0.78 MAPK14 (0.55) MAPK14MAPK11
SCHEMBL6666576 0.76 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL16573718 0.73 MAPK14 (0.72) MAPK14MAPK11
SCHEMBL6703607 0.73 MAPK14 (0.75) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669500 0.71 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6673280 0.69 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669059 0.69 MAPK14 (0.89) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6865876 0.67 MAPK14 (0.82) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6669226 0.67 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