SCHEMBL21167396

SCHEMBL21167396

CC(C)n1cc(-c2ccc(N)c(NCc3ccc4nccn4c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 6/20 0.39
KEAP1 Q14145 1/20 0.39
NAMPT P43490 3/20 0.38
PAK1 Q13153 1/20 0.35
NQO2 P16083 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
TRIM33 Q9UPN9 2/20 0.34
DYRK1A Q13627 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
HDAC1 Q13547 1/20 0.33
CSF1R P07333 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL22475857 0.89 MET (0.38) METKEAP1NAMPTPAK1NQO2
SCHEMBL21167673 0.89 CSF1R (0.45) METKEAP1NAMPTPAK1NQO2
SCHEMBL22475697 0.87 MET (0.51) METKEAP1PAK1NQO2MKNK1
SCHEMBL22475807 0.86 MET (0.42) METKEAP1NAMPTPAK1NQO2
SCHEMBL22475716 0.86 MET (0.41) METKEAP1PAK1MKNK1TRIM33
SCHEMBL24591043 0.82 MET (0.54) METKEAP1NAMPTPAK1MKNK1
SCHEMBL21167805 0.81 MET (0.54) METKEAP1NAMPTPAK1MKNK1
SCHEMBL21167408 0.79 MKNK1 (0.53) METKEAP1NAMPTPAK1MKNK1
SCHEMBL21167714 0.79 MET (0.44) MET
SCHEMBL21167583 0.76 MET (0.49) METKEAP1NAMPTPAK1NQO2

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-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed