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SCHEMBL4070116

SCHEMBL4070116

COc1ccccc1-c1c2nc(C3CCNCC3)cc(-c3cccc(C(F)(F)F)c3)c2cc[n+]1[O-].COc1ccccc1-c1c2nccc(-c3cccc(C(F)(F)F)c3)c2cc[n+]1[O-].COc1ccccc1-c1ccnc2c(-c3ccccc3OC)[n+]([O-])ccc12.[O-][n+]1ccc2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1c(Cl)cccc1Cl.[O-][n+]1ccc2c(-c3cccc(C(F)(F)F)c3)ccnc2c1-c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.59
▸ MAPK13 O15264 1/20 0.54
▸ MAPK12 P53778 1/20 0.54
▸ MAPK11 Q15759 1/20 0.54

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
SCHEMBL4070119 1.00 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080181 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079712 0.83 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4077557 0.83 MAPK14 (0.72) MAPK14
SCHEMBL2080182 0.82 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4075914 0.79 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4076814 0.79 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4075912 0.79 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4076818 0.79 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080089 0.78 MAPK14 (0.63) MAPK14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP claimed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO claimed