SCHEMBL5409632

SCHEMBL5409632

CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccoc3)n(Cc3csc4ccccc34)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
PDE5A O76074 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SLC16A1 P53985 5/20 0.35
CYP2C9 P11712 3/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PLA2G1B P04054 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CMA1 P23946 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE2A O00408 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
CAMK2B Q13554 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
SCHEMBL5411081 0.90 SMN1; SMN2 (0.41) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5395357 0.88 PDE5A (0.39) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL14370923 0.86 SLC16A1 (0.49) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5405716 0.84 TP53 (0.44) PDE1APDE1BPDE1CSLC16A1LMNA
SCHEMBL5404342 0.83 PDE1A (0.38) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5409602 0.83 PDE1A (0.38) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5398349 0.83 PDE1A (0.37) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5415326 0.83 DPP4 (0.39) PDE1APDE1BPDE1CSLC16A1CYP2C9
SCHEMBL5400100 0.82 PDE5A (0.38) PDE1APDE1BPDE1CPDE5APDE3B
SCHEMBL5398848 0.82 PDE1A (0.37) PDE1APDE1BPDE1CPDE5APDE3B

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