SCHEMBL12487170

SCHEMBL12487170

OCCN1C=C(c2cnc3nnn(Cc4csc5ncccc45)c3n2)CN1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.63
CYP2C9 P11712 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL12689728 0.80 MET (0.78) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12486093 0.77 MET (1.00) MET
SCHEMBL16587293 0.76 MET (0.70) MET
SCHEMBL12689725 0.73 MET (0.79) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12489807 0.72 MET (0.80) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12482438 0.69 MET (0.60) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL16587280 0.69 MET (0.53) MET
SCHEMBL18418041 0.67 MET (0.65) METCYP2C9PDE3BPDE3APDE10A
SCHEMBL12483199 0.67 MET (0.77) METPDE3BPDE3A
SCHEMBL16587170 0.65 MET (0.77) MET

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
WO-2011079804-A1 CERTAIN TRIAZOLOPYRIDINES AND TRIAZOLOPYRAZINES, COMPOSITIONS THEREOF AND METHODS OF USE THEREFOR HUTCHISON MEDIPHARMA LIMITED (CN) 2011-07-07 WO disclosed