SCHEMBL21167410

SCHEMBL21167410

NNc1ccc(-c2cnn(C3CCOCC3)c2)nc1NCc1ccc2nccn2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.51
ALK Q9UM73 1/20 0.40
NAMPT P43490 9/20 0.36
PAK1 Q13153 1/20 0.36
MET P08581 2/20 0.35
LRRK2 Q5S007 3/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KEAP1 Q14145 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL21167408 0.90 MKNK1 (0.53) MKNK1ALKNAMPTPAK1MET
SCHEMBL21167583 0.83 MET (0.49) MKNK1NAMPTPAK1METKEAP1
SCHEMBL22475713 0.79 MET (0.53) MKNK1NAMPTPAK1METKEAP1
SCHEMBL22475857 0.79 MET (0.38) MKNK1NAMPTPAK1METJAK2
SCHEMBL23128064 0.79 MET (0.44) MKNK1NAMPTPAK1METKEAP1
SCHEMBL22475870 0.78 MET (0.53) MKNK1NAMPTPAK1METLRRK2
SCHEMBL21167349 0.77 NTRK1 (0.49) METNTRK1
SCHEMBL21167523 0.75 CSF1R (0.42) MKNK1NAMPTPAK1METKEAP1
SCHEMBL12489730 0.74 MET (0.54) MKNK1ALKMET
SCHEMBL22475697 0.72 MET (0.51) MKNK1PAK1METKEAP1

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-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 EP disclosed
EP-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed