SCHEMBL21167682

SCHEMBL21167682

OCCn1cc(-c2cnc3c(n2)N(Cc2n[nH]c4ncccc24)NN3)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.51
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
CYP2C9 P11712 1/20 0.42
PDE10A Q9Y233 1/20 0.42
PIM1 P11309 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 2/20 0.37
JAK3 P52333 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
SCHEMBL21167389 0.90 PIM1 (0.43) METPIM1
SCHEMBL24590996 0.90 MET (0.41) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167329 0.85 MET (0.67) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12487158 0.80 MET (0.75) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL19261423 0.79 MET (0.65) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591084 0.78 PIM1 (0.43) PIM1
SCHEMBL16882514 0.78 MET (0.52) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL12489725 0.76 MET (0.58) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL24591016 0.76 MET (0.47) METPDE3BPDE3ACYP2C9PDE10A
SCHEMBL21167683 0.76 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