SCHEMBL23128151

SCHEMBL23128151

CSc1ncccc1CCN(N)c1nc(-c2cnn(CCO)c2)cnc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
CYP2C9 P11712 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
FGFR1 P11362 4/20 0.37
FGFR3 P22607 4/20 0.37
KDR P35968 4/20 0.37
FGFR2 P21802 2/20 0.37
FGFR4 P22455 2/20 0.37
FLT3 P36888 1/20 0.36
PIK3CD O00329 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL21167343 0.74 MET (0.44) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL14378441 0.74 MET (0.59) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167339 0.73 MET (0.43) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL23127990 0.72 NOS3 (0.33)
SCHEMBL23128022 0.72 MET (0.46) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24590989 0.68 MET (0.43) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167690 0.67 MET (0.41) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591101 0.66 MET (0.38) METFGFR1FGFR3KDRFGFR2
SCHEMBL21167489 0.66 MET (0.40) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167736 0.66 MET (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

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