SCHEMBL2178001

SCHEMBL2178001

CCOCc1cnn2ccc(Cn3nnc4ncc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.48
CYP2C9 P11712 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL12483227 0.94 MET (0.50) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL29773372 0.94 MET (0.50) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2177639 0.91 MET (0.54) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12690022 0.88 MET (0.52) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2177521 0.86 MET (0.50) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12489841 0.85 MET (0.68) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL29773404 0.85 MET (0.68) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2570437 0.79 MET (0.68) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12489713 0.78 MET (0.67) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL2175503 0.78 MET (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519524-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR Hutchison Medipharma Limited (CN) 2012-11-07 EP disclosed
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 WO disclosed