SCHEMBL6693023

SCHEMBL6693023

CN(C)CCCN1CCN(c2cc3c(ccc(=O)n3-c3c(Cl)cccc3Cl)c(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.51
MAPK13 O15264 7/20 0.51
MAPK12 P53778 7/20 0.51
MAPK11 Q15759 7/20 0.51
HTR1A P08908 1/20 0.39

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
SCHEMBL6865812 0.73 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666279 0.72 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669709 0.72 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6668257 0.71 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6688817 0.69 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666980 0.68 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6867067 0.68 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6866928 0.68 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6870099 0.68 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6864304 0.67 MAPK14 (0.68) 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