SCHEMBL13756992

SCHEMBL13756992

CCN(CC)c1nc(Nc2ccc(=O)n(C)c2)c2c(n1)c(C(=O)O)nn2CCOCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.40
KCNH2 Q12809 4/20 0.34
CFTR P13569 2/20 0.34
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL332296 0.91 PDE5A (0.45) PDE5AKCNH2MKNK1MKNK2
SCHEMBL332265 0.81 PDE5A (0.59) PDE5AKCNH2
SCHEMBL13756983 0.78 PDE5A (0.52) PDE5AKCNH2
SCHEMBL4045404 0.76 PDE5A (0.47) PDE5AKCNH2
SCHEMBL4037116 0.74 PDE5A (0.47) PDE5AKCNH2
SCHEMBL331941 0.74 PDE5A (0.68) PDE5AKCNH2
SCHEMBL12768916 0.72 PDE5A (0.48) PDE5AKCNH2
SCHEMBL10286218 0.71 HTR2C (0.38) PDE5A
SCHEMBL331899 0.70 PDE5A (0.58) PDE5AKCNH2
SCHEMBL8295331 0.70 PDE5A (0.56) PDE5AKCNH2

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-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed
US-7572799-B2 Pyrazolo[4,3-d]pyrimidines as Phosphodiesterase Inhibitors PFIZER INC (US) 2009-08-11 US disclosed