SCHEMBL21167329

SCHEMBL21167329

OCCn1cc(-c2cnc3c(n2)N(Cc2c[nH]c4ncccc24)NN3)cn1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.67
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP2C9 P11712 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CCNE1 P24864 5/20 0.41
CDK2 P24941 5/20 0.41
MAPK1 P28482 1/20 0.40
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL24591029 0.85 MET (0.63) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167682 0.85 MET (0.51) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12693351 0.80 MET (1.00) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL19261423 0.78 MET (0.65) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL16882514 0.77 MET (0.52) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12489241 0.77 MET (0.79) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591031 0.76 MET (0.61) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL22475809 0.75 MET (0.60) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24590996 0.75 MET (0.41) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591016 0.75 MET (0.47) 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-3511330-A1 SYNTHETIC INTERMEDIATE USEFUL IN THE PREPARATION OF TRIAZOLOPYRIDINE C-MET INHIBITORS Hutchison Medipharma Limited (CN) 2019-07-17 EP disclosed