SCHEMBL21167339

SCHEMBL21167339

Nc1ncc(-c2cnn(CCO)c2)nc1N(N)Cc1cc2cccnc2s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.43
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP2C9 P11712 1/20 0.41
PDE10A Q9Y233 1/20 0.41
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
KDR P35968 2/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL24590984 0.87 MET (0.56) METPDE3BPDE3APDE4CPDE4D
SCHEMBL24590989 0.84 MET (0.43) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL14378441 0.83 MET (0.59) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167343 0.82 MET (0.44) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL23128022 0.78 MET (0.46) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL22475661 0.78 MET (0.36) METJAK2JAK1TYK2JAK3
SCHEMBL21167471 0.77 MET (0.42) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167353 0.77 CYP2A6 (0.39) METCYP2C9
SCHEMBL22475779 0.76 FGFR1 (0.34) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL23127970 0.74 MET (0.37) METPDE3BPDE3ACYP2C9PDE10A

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-B1 CERTAIN TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LTD (CN) 2022-07-06 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