SCHEMBL14724709

SCHEMBL14724709

Cc1ccc(C(=O)Nc2cccc(O)c2O)cc1-c1ccc2nc(NCCCN3CCOCC3)ncc2c1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.78
LCK P06239 15/20 0.78
KDR P35968 15/20 0.78
JAK3 P52333 9/20 0.78
RIPK1 Q13546 1/20 0.71
RIPK3 Q9Y572 1/20 0.71
MAPK9 P45984 2/20 0.66
MAPK10 P53779 2/20 0.66
SRC P12931 2/20 0.66
KIT P10721 2/20 0.66
TYK2 P29597 1/20 0.66
SYK P43405 1/20 0.66
MAPK8 P45983 1/20 0.66
BTK Q06187 1/20 0.66
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
DDR2 Q16832 1/20 0.46

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
SCHEMBL14724713 0.88 LCK (0.77) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494923 0.88 MAPK14 (0.75) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5490497 0.88 LCK (1.00) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494861 0.87 LCK (0.89) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494716 0.86 MAPK14 (0.76) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5496169 0.85 MAPK14 (0.91) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5497210 0.84 MAPK14 (0.72) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494376 0.84 LCK (0.75) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494152 0.84 RIPK1 (0.76) MAPK14LCKKDRJAK3RIPK1
SCHEMBL5494933 0.84 LCK (0.77) MAPK14LCKKDRJAK3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed