SCHEMBL4196526

SCHEMBL4196526

CC(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccc(C#N)cc3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 1.00
PDE1A P54750 3/20 0.83
PDE4C Q08493 3/20 0.83
PDE4D Q08499 3/20 0.83
PDE3B Q13370 3/20 0.83
PDE1C Q14123 3/20 0.83
PDE3A Q14432 3/20 0.83
PDE11A Q9HCR9 3/20 0.83
PDE10A Q9Y233 3/20 0.83
PDE2A O00408 1/20 0.68
CHRM2 P08172 1/20 0.68
PDE4A P27815 1/20 0.68
PDE4B Q07343 1/20 0.68

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
SCHEMBL4202275 1.00 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL3590585 0.91 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL3590587 0.91 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL3604180 0.91 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2697942 0.88 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2699300 0.88 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL2696561 0.88 MET (1.00) METPDE1APDE4CPDE4DPDE3B
SCHEMBL9910503 0.83 MET (0.73) METPDE1APDE4CPDE4DPDE3B
SCHEMBL14198922 0.82 MET (0.81) METPDE1APDE4CPDE4DPDE3B
SCHEMBL12101261 0.82 MET (0.81) METPDE1APDE4CPDE4DPDE3B

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