SCHEMBL6669146

SCHEMBL6669146

O=C1NCc2c(-c3ccccc3Cl)cc(C3=CCNCC3)cc2N1c1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.61
MAPK13 O15264 4/20 0.57
MAPK12 P53778 4/20 0.57
MAPK11 Q15759 4/20 0.57

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
SCHEMBL6670271 0.90 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669188 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6672601 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6667831 0.78 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6666639 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6668781 0.77 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670219 0.77 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670057 0.77 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6643851 0.76 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7107774 0.75 MAPK14 (0.46) 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