SCHEMBL21167408

SCHEMBL21167408

Nc1ccc(-c2cnn(C3CCOCC3)c2)nc1NCc1ccc2nccn2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.53
ALK Q9UM73 1/20 0.38
NAMPT P43490 8/20 0.37
PAK1 Q13153 1/20 0.37
MET P08581 3/20 0.36
LRRK2 Q5S007 3/20 0.35
KEAP1 Q14145 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NTRK1 P04629 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
SCHEMBL21167410 0.90 MKNK1 (0.51) MKNK1ALKNAMPTPAK1MET
SCHEMBL22475697 0.83 MET (0.51) MKNK1PAK1METKEAP1
SCHEMBL21167349 0.80 NTRK1 (0.49) METNTRK1
SCHEMBL22475716 0.79 MET (0.41) MKNK1PAK1METKEAP1JAK2
SCHEMBL21167396 0.79 MET (0.39) MKNK1NAMPTPAK1METKEAP1
SCHEMBL24591043 0.78 MET (0.54) MKNK1NAMPTPAK1METKEAP1
SCHEMBL21167523 0.78 CSF1R (0.42) MKNK1NAMPTPAK1METKEAP1
SCHEMBL21167805 0.77 MET (0.54) MKNK1NAMPTPAK1METLRRK2
SCHEMBL12489730 0.76 MET (0.54) MKNK1ALKMET
SCHEMBL22475935 0.75 MKNK1 (0.49) MKNK1ALKMETLRRK2JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795573-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 EP disclosed
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-B1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS HUTCHISON MEDIPHARMA LTD (CN) 2020-09-30 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