SCHEMBL21167736

SCHEMBL21167736

Nc1ncc(-c2cnn(CCO)c2)nc1N(N)Cc1ccn2ncc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.41
KIT P10721 1/20 0.39
EGFR P00533 1/20 0.37
FGFR1 P11362 8/20 0.35
FGFR3 P22607 8/20 0.35
KDR P35968 7/20 0.35
FGFR2 P21802 5/20 0.35
FGFR4 P22455 5/20 0.35
FLT3 P36888 1/20 0.35
FEN1 P39748 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL21167690 0.90 MET (0.41) METKITEGFRFGFR1FGFR3
SCHEMBL21167834 0.87 MET (0.39) METKITEGFRFGFR1FGFR3
SCHEMBL24591101 0.86 MET (0.38) METKITEGFRFGFR1FGFR3
SCHEMBL21167664 0.85 EGFR (0.40) METKITEGFRFGFR1FGFR3
SCHEMBL14378441 0.77 MET (0.59) METFGFR1FGFR3KDRFGFR2
SCHEMBL12483014 0.74 MET (0.73) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL22475773 0.73 MET (0.43) METFGFR1FGFR3FGFR2FEN1
SCHEMBL21167339 0.73 MET (0.43) METEGFRFGFR1FGFR3KDR
SCHEMBL21167343 0.72 MET (0.44) METKITEGFRKDRFEN1
SCHEMBL22475890 0.71 MET (0.43) METKITEGFRFEN1IKBKE

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 3 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-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