SCHEMBL6996845

SCHEMBL6996845

CCCOc1ccccc1-c1nc2c(-c3cccnc3)n(Cc3ccccn3)nc2c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.52
PDE6C P51160 3/20 0.51
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
PDE2A O00408 1/20 0.48
PDE6D O43924 1/20 0.48
USP2 O75604 1/20 0.48
PDE9A O76083 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE6A P16499 1/20 0.48
PDE6G P18545 1/20 0.48

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
SCHEMBL7001931 0.88 PDE5A (0.54) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6338375 0.84 PDE5A (0.68) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6331957 0.84 PDE5A (0.64) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6999053 0.83 PDE5A (0.79) PDE5APDE6C
SCHEMBL6334010 0.80 PDE5A (0.57) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6336939 0.80 PDE5A (0.58) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL7030569 0.79 PDE5A (0.59) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6332294 0.78 PDE5A (0.52) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6330315 0.78 PDE5A (0.54) PDE5APDE6CPDE4APDE4BPDE4C
SCHEMBL6339903 0.78 PDE5A (0.58) PDE5APDE6CKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed