SCHEMBL21167600

SCHEMBL21167600

N=Nc1ncc(-c2cnn(CCO)c2)nc1N[C@H](P)c1ccn2nccc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.55
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FGFR3 P22607 2/20 0.37
KDR P35968 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
CYP2C9 P11712 1/20 0.34
PDE10A Q9Y233 1/20 0.34
FEN1 P39748 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
SCHEMBL22475690 0.90 MET (0.59) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167779 0.90 MET (0.59) METPDE3BPDE3APDE4CPDE4D
SCHEMBL24591159 0.90 MET (0.59) METPDE3BPDE3APDE4CPDE4D
SCHEMBL24591054 0.83 MET (0.57) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167780 0.78 MET (0.62) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167599 0.77 MET (0.60) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167475 0.73 MET (0.45) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL12487188 0.72 MET (0.54) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL21167564 0.71 MET (0.59) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167676 0.71 MET (0.42) METPDE3BPDE3APDE4CPDE4D

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