SCHEMBL21167403

SCHEMBL21167403

N=Nc1ncc(-c2cnn(CCO)c2)nc1NCc1ccc2nccn2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.56
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
CYP2C9 P11712 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PAK1 Q13153 1/20 0.35
KEAP1 Q14145 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 1/20 0.34
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
MAPK1 P28482 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
SCHEMBL24590990 0.89 MET (0.44) METFGFR1FGFR2FGFR4FGFR3
SCHEMBL24591041 0.88 MET (0.53) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591117 0.87 MET (0.53) METPAK1KEAP1F2PRSS1
SCHEMBL24590995 0.87 MET (0.41) METPAK1KEAP1F2PRSS1
SCHEMBL21167404 0.86 MET (0.58) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL22475667 0.86 MET (0.57) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591049 0.83 MET (0.41) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591043 0.83 MET (0.54) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL22475713 0.82 MET (0.53) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591054 0.81 MET (0.57) 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