SCHEMBL4069855

SCHEMBL4069855

Fc1ccc(-c2cc(NC3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1.Fc1ccc(-c2cc(NC3CCNCC3)nc3c(-c4c(F)cccc4F)nccc23)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.62
MAPK13 O15264 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
CCNT1 O60563 6/20 0.41
MAPKAPK2 P49137 1/20 0.38
ATR Q13535 2/20 0.37
ATRIP Q8WXE1 2/20 0.37
TDO2 P48775 1/20 0.37

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
SCHEMBL2080915 0.97 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL2080167 0.95 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL2079157 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL4255507 0.83 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL2079373 0.82 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL2079128 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL2080009 0.80 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079289 0.79 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CCNT1
SCHEMBL2080714 0.78 CCNT1 (0.51) MAPK14CCNT1
SCHEMBL4069271 0.77 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11ATR

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