SCHEMBL4067939

SCHEMBL4067939

COc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.Cc1ccccc1-c1nccc2c(-c3ccc(F)cc3F)ccnc12

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.60
UGCG Q16739 1/20 0.41
IDO1 P14902 1/20 0.41
S1PR1 P21453 2/20 0.40
TDO2 P48775 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL2079875 0.94 MAPK14 (0.66) MAPK14UGCGIDO1TDO2ALOX5AP
SCHEMBL2080033 0.92 MAPK14 (0.68) MAPK14ALOX5APFEN1
SCHEMBL2079342 0.83 MAPK14 (0.66) MAPK14UGCG
SCHEMBL2079261 0.80 MAPK14 (0.65) MAPK14
SCHEMBL2080402 0.78 MAPK14 (0.51) MAPK14
SCHEMBL4067333 0.78 MAPK14 (0.59) MAPK14UGCGIDO1TDO2MAP4K1
SCHEMBL2078613 0.78 MAPK14 (0.53) MAPK14
SCHEMBL4246296 0.77 MAPK14 (0.44) MAPK14MAP4K1
SCHEMBL2080178 0.77 MAPK14 (0.53) MAPK14
SCHEMBL2079054 0.77 MAPK14 (0.51) MAPK14UGCG

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 disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 WO disclosed