SCHEMBL4067333

SCHEMBL4067333

COc1ccccc1-c1ccnc2c(-c3c(C)cccc3C)nccc12.COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)nccc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.59
MAP4K1 Q92918 2/20 0.44
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.38
UGCG Q16739 3/20 0.38
KCNN4 O15554 1/20 0.37
RPS6KA2 Q15349 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
SYK P43405 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
SCHEMBL2078751 0.94 MAPK14 (0.65) MAPK14MAP4K1IDO1TDO2UGCG
SCHEMBL2079054 0.93 MAPK14 (0.51) MAPK14UGCGALDH1A1CYP1A2CYP3A4
SCHEMBL4072292 0.84 MAPK14 (0.45) MAPK14IDO1
SCHEMBL4067939 0.78 MAPK14 (0.60) MAPK14MAP4K1IDO1TDO2UGCG
SCHEMBL2079261 0.77 MAPK14 (0.65) MAPK14CYP1A2ATRATRIP
SCHEMBL2079342 0.75 MAPK14 (0.66) MAPK14UGCGATRATRIP
SCHEMBL2079875 0.75 MAPK14 (0.66) MAPK14IDO1TDO2UGCGCYP1A2
SCHEMBL19802148 0.74 APP (0.47) MAPK14MAP4K1KCNN4RPS6KA2ALDH1A1
SCHEMBL2080727 0.73 MAPK14 (0.62) MAPK14ATRATRIP
SCHEMBL2076940 0.73 MAPK14 (0.78) 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 disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 WO disclosed