SCHEMBL21167701

SCHEMBL21167701

Nc1ccc(-c2cnn(CCO)c2)nc1N(N)Cc1ccc2ncsc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.37
CYP2C9 P11712 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PDE10A Q9Y233 1/20 0.37
FGFR1 P11362 7/20 0.36
FGFR3 P22607 7/20 0.36
KDR P35968 6/20 0.36
FGFR2 P21802 4/20 0.36
FGFR4 P22455 4/20 0.36
FLT3 P36888 1/20 0.36
MTOR P42345 4/20 0.34
PIK3CA P42336 3/20 0.34
KIT P10721 1/20 0.34
FEN1 P39748 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
SCHEMBL21167759 0.87 DYRK1A (0.40) METFGFR1FGFR3KDRFGFR2
SCHEMBL21167772 0.84 MET (0.54) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21171421 0.81 SCD (0.38) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21167471 0.78 MET (0.42) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL23127970 0.76 MET (0.37) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12482410 0.76 MET (0.56) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21167378 0.76 MET (0.40) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21167613 0.75 MET (0.53) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL21167770 0.75 CYP2A6 (0.41) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL14378441 0.73 MET (0.59) METCYP2C9PDE3BPDE3APDE10A

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 4 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-3795573-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRIDINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2021-03-24 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