SCHEMBL4069271

SCHEMBL4069271

Fc1ccc(-c2cc(OC3CCNCC3)nc3c(-c4c(F)cccc4F)nccc23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.45
PIM1 P11309 5/20 0.44
PIM2 Q9P1W9 4/20 0.44
PIM3 Q86V86 3/20 0.44
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
ATR Q13535 2/20 0.41
ATRIP Q8WXE1 2/20 0.41
TDO2 P48775 1/20 0.41
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SYK P43405 1/20 0.38
ROCK1 Q13464 1/20 0.36
HTR6 P50406 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NMT1 P30419 1/20 0.35

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
SCHEMBL2079289 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL2080167 0.81 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL2078647 0.81 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079418 0.80 ATR (0.58) MAPK14ATRATRIP
SCHEMBL4069855 0.77 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL4067448 0.77 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4252715 0.76 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079373 0.76 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11ATR
SCHEMBL2079898 0.76 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL2078608 0.75 MAPK14 (0.78) 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 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