SCHEMBL5409701

SCHEMBL5409701

Cc1ccc2[nH]cc(Cn3nc4c(c3-c3nccn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
PDE5A O76074 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CFTR P13569 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA1 P30542 1/20 0.37
SCN1A P35498 1/20 0.37
PDE6C P51160 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL14198836 0.92 PDE1A (0.40) PDE2APDE1APDE1BPDE1C
SCHEMBL5410804 0.92
SCHEMBL5402773 0.92 PDE2A (0.38) PDE2APDE1APDE1BPDE1CPDE5A
SCHEMBL6657198 0.91 PDE5A (0.41) PDE2APDE1APDE1BPDE1CPDE5A
SCHEMBL5396001 0.90
SCHEMBL5411183 0.90 PDE1A (0.36) PDE2APDE1APDE1BPDE1C
SCHEMBL5403287 0.87 PDE1A (0.37) PDE2APDE1APDE1BPDE1CPDE5A
SCHEMBL5400127 0.86
SCHEMBL5407648 0.85
SCHEMBL5408098 0.85 PDE1A (0.37) PDE2APDE1APDE1BPDE1CPDE5A

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 5 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
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 WO disclosed