SCHEMBL4198291

SCHEMBL4198291

CC(=O)Nc1ccc2nnc(C(C)c3ccc4ncccc4c3)n2n1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.74
PDE3A Q14432 6/20 0.59
PDE1A P54750 3/20 0.59
PDE4C Q08493 3/20 0.59
PDE4D Q08499 3/20 0.59
PDE3B Q13370 3/20 0.59
PDE1C Q14123 3/20 0.59
PDE11A Q9HCR9 3/20 0.59
PDE10A Q9Y233 3/20 0.59
PDE2A O00408 1/20 0.58
CHRM2 P08172 1/20 0.58
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58

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
SCHEMBL1163925 0.86 MET (0.74) METPDE3APDE1APDE4CPDE4D
SCHEMBL4201221 0.85 MET (1.00) METPDE3APDE1APDE4CPDE4D
SCHEMBL4199983 0.83 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL3585934 0.82 MET (0.74) METPDE3APDE1APDE4CPDE4D
SCHEMBL3599319 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL4195337 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL4200183 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL10198801 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL2698471 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D
SCHEMBL9910508 0.81 MET (0.73) METPDE3APDE1APDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032578-A2 TRIAZOLOPYRIDAZINE DERIVATIVES Pfizer Products Incorporated (US) 2009-03-11 EP disclosed
WO-2007138472-A2 TRIAZOLOPYRIDAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-12-06 WO disclosed
WO-2007138472-A2 TRIAZOLOPYRIDAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-12-06 WO disclosed