SCHEMBL5493067

SCHEMBL5493067

Nc1ncc2cc(-c3cccc4[nH]cc(C(=O)NC5CC5)c34)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.52
LCK P06239 10/20 0.43
JAK3 P52333 5/20 0.43
MAPK14 Q16539 5/20 0.43
ALOX5AP P20292 4/20 0.42
FEN1 P39748 2/20 0.41
BACE1 P56817 1/20 0.41
TEK Q02763 3/20 0.39
ABL1 P00519 2/20 0.39
MAP4K4 O95819 2/20 0.39

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
SCHEMBL5494873 0.75 MAPK14 (0.44) KDRLCKJAK3MAPK14TEK
SCHEMBL5494001 0.74 LCK (0.63) KDRLCKJAK3MAPK14TEK
SCHEMBL21416755 0.74 MAPK14 (0.50) KDRLCKJAK3MAPK14TEK
SCHEMBL5501111 0.73 LCK (0.60) KDRLCKJAK3MAPK14TEK
SCHEMBL5497131 0.73 ABL1 (0.58) KDRLCKJAK3MAPK14TEK
SCHEMBL5494440 0.73 MAPK14 (0.63) KDRLCKJAK3MAPK14TEK
SCHEMBL5500272 0.71 LCK (0.45) KDRLCKMAPK14ABL1MAP4K4
SCHEMBL5490425 0.71 LCK (0.45) KDRLCKMAPK14ALOX5APABL1
SCHEMBL5504803 0.70 MAPK14 (0.55) KDRLCKJAK3MAPK14TEK
SCHEMBL5490697 0.69 ABL1 (0.64) KDRLCKJAK3MAPK14TEK

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed