SCHEMBL6773014

SCHEMBL6773014

CCCc1c2nc(-c3cc(N)cnc3OCC)[nH]c(=O)c2nn1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.55
PDE6C P51160 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45

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
SCHEMBL7001460 0.87 PDE5A (0.47) PDE5APDE6CKMT2AMEN1ALDH1A1
SCHEMBL6777238 0.86 PDE5A (0.42) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL6776962 0.83 PDE5A (0.54) PDE5APDE6C
SCHEMBL7002254 0.82 PDE5A (0.46) PDE5APDE6CKMT2AMEN1ALDH1A1
SCHEMBL6446885 0.81 PDE5A (0.70) PDE5APDE6CKMT2AMEN1ALDH1A1
SCHEMBL7001512 0.81 PDE5A (0.42) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL7004010 0.81 PDE5A (0.40) PDE5AKMT2AMEN1ALDH1A1HPGD
SCHEMBL13500487 0.81 PDE5A (0.67) PDE5A
SCHEMBL6443202 0.80 PDE5A (0.75) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6778726 0.79 PDE5A (0.52) PDE5APDE6C

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
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 WO disclosed