SCHEMBL6668557

SCHEMBL6668557

NC1(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.69
KCNH2 Q12809 1/20 0.68
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 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
SCHEMBL4314089 0.81 MAPK14 (1.00) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL30249764 0.81 MAPK14 (1.00) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6668191 0.80 MAPK14 (0.73) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6667213 0.78 MAPK14 (1.00) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6668555 0.77 MAPK14 (0.80) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6667935 0.76 MAPK14 (0.72) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6865816 0.75 MAPK14 (0.67) MAPK14KCNH2
SCHEMBL6669792 0.75 MAPK14 (1.00) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6672113 0.73 MAPK14 (0.78) MAPK14KCNH2MAPK13MAPK12MAPK11
SCHEMBL6668598 0.73 MAPK14 (0.77) MAPK14KCNH2MAPK13MAPK12MAPK11

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