SCHEMBL7008583

SCHEMBL7008583

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3cccnc3)sc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.42
PDE1B Q01064 4/20 0.41
PDE1A P54750 3/20 0.41
PDE1C Q14123 3/20 0.41
PDE2A O00408 2/20 0.41
PARG Q86W56 1/20 0.39
SLC16A1 P53985 5/20 0.39
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
PDE5A O76074 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
CAMK2B Q13554 1/20 0.37
HIPK4 Q8NE63 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
SCHEMBL7011267 0.87 PDE1B (0.39) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864669 0.87 PDE1B (0.47) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864744 0.82 PDE3B (0.47) PDE1BPDE1APDE1CPDE2APARG
SCHEMBL5864889 0.81 SLC16A1 (0.42) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864838 0.81 ALDH1A1 (0.41) PDE1BPDE1APDE1CPDE2APARG
SCHEMBL7006986 0.80 SLC16A1 (0.43) PDE1BPDE1APDE1CPDE2APARG
SCHEMBL5865074 0.80 PARG (0.41) PDE1BPDE1APDE1CPDE2APARG
SCHEMBL5865280 0.80 ADORA2A (0.44) PARGSLC16A1
SCHEMBL7009074 0.80 TSHR (0.39) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864716 0.79 PDE1B (0.41) PDE1BPDE1APDE1CPDE2ASLC16A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed