SCHEMBL5400100

SCHEMBL5400100

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cncn3C)n(Cc3csc4ccccc34)nc21

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38

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
SCHEMBL5411056 0.89
SCHEMBL5404342 0.88 PDE1A (0.38) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5395357 0.86 PDE5A (0.39) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5411081 0.86 SMN1; SMN2 (0.41) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5400678 0.86 SLC16A1 (0.52) PDE5APDE3BPDE3A
SCHEMBL5398848 0.84 PDE1A (0.37) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5400117 0.83 CMA1 (0.37) PDE1APDE1BPDE1C
SCHEMBL5409602 0.83 PDE1A (0.38) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5398349 0.83 PDE1A (0.37) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5406059 0.82 SLC16A1 (0.39) PDE5APDE3BPDE3APDE1APDE1B

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-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed