SCHEMBL6777005

SCHEMBL6777005

CCCOc1ncc(C#N)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.55
KMT2A Q03164 2/20 0.55
PDE1A P54750 2/20 0.55
PDE1B Q01064 2/20 0.55
PDE1C Q14123 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
MTOR P42345 1/20 0.52
PDE3B Q13370 3/20 0.52
PDE3A Q14432 3/20 0.52
PDE6C P51160 2/20 0.51
KDM4E B2RXH2 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PDE2A O00408 1/20 0.47
ABCC4 O15439 1/20 0.47
ABCC5 O15440 1/20 0.47
PDE6D O43924 1/20 0.47

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
SCHEMBL6778560 0.87 PDE5A (0.58) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6778664 0.86 PDE5A (0.57) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6777800 0.84 PDE5A (0.55) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6773007 0.81 PDE5A (0.53) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6778750 0.81 PDE5A (0.56) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6772542 0.81 PDE5A (0.52) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6782391 0.81 PDE5A (0.61) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6773154 0.81 PDE5A (0.55) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL15995585 0.81 PDE5A (0.71) PDE5AKMT2APDE1APDE1BPDE1C
SCHEMBL6776627 0.80 PDE5A (0.53) PDE5AKMT2APDE1APDE1BPDE1C

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
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 claimed
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