SCHEMBL21167482

SCHEMBL21167482

Nc1ccc(-c2cnn(CC(F)(F)F)c2)nc1N(N)Cc1ccc2ncccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.36
PIM1 P11309 6/20 0.34
PIM3 Q86V86 5/20 0.34
PIM2 Q9P1W9 5/20 0.34
PDE10A Q9Y233 1/20 0.33
ALOX5AP P20292 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
PIK3CG P48736 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TTK P33981 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL21167429 0.85 MET (0.43) METPDE10A
SCHEMBL21167483 0.81 MET (0.36) METPIM1PIM3PIM2PDE10A
SCHEMBL22475826 0.73 MET (0.52) METPDE10A
SCHEMBL21167772 0.71 MET (0.54) METPDE10A
SCHEMBL21167613 0.71 MET (0.53) METPDE10A
SCHEMBL21167428 0.70 MET (0.44) METPDE10A
SCHEMBL24591038 0.70 MET (0.44) METPDE10A
SCHEMBL24591060 0.70 MET (0.41) METPDE10A
SCHEMBL23127970 0.69 MET (0.37) METPDE10AJAK2JAK1TYK2
SCHEMBL21167471 0.69 MET (0.42) METPDE10AJAK2JAK1TYK2

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