SCHEMBL6995296

SCHEMBL6995296

CCOc1ncc(N)cc1-c1nc2c(-c3ccc(OC(F)(F)F)cc3)n(C)nc2c(=O)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 15/20 0.38
ABL1 P00519 1/20 0.38
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC2 Q92769 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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
SCHEMBL7001346 0.90 PDE5A (0.39) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7001512 0.89 PDE5A (0.42) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7000493 0.87 PSD (0.39) KDM4EPDE5AABL1ALDH1A1
SCHEMBL7004010 0.87 PDE5A (0.40) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7002254 0.87 PDE5A (0.46) KDM4EPDE5AKMT2AMEN1ALDH1A1
SCHEMBL7000319 0.86 PDE5A (0.45) PDE5A
SCHEMBL7002358 0.83 PDE5A (0.39) KDM4EPDE5AHDAC1HDAC6HDAC2
SCHEMBL7001460 0.82 PDE5A (0.47) KDM4EPDE5AHDAC1KMT2AMEN1
SCHEMBL7003929 0.81 PDE5A (0.40) KDM4EPDE5AHDAC1HDAC6KMT2A
SCHEMBL6999597 0.81 PDE5A (0.40) KDM4EPDE5AHDAC1HDAC6KMT2A

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