SCHEMBL6667601

SCHEMBL6667601

O=C1CCc2c(-c3ccc(F)cc3Cl)cc(N3CCCCC3)cc2N1c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.61
MAPK13 O15264 3/20 0.61
MAPK12 P53778 3/20 0.61
MAPK11 Q15759 3/20 0.61
KCNH2 Q12809 1/20 0.55

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
SCHEMBL6667321 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14201945 0.78 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667983 0.77 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667115 0.76 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6665907 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL16573721 0.74 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6672013 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6670099 0.74 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670128 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL14204112 0.74 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11

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