SCHEMBL7007034

SCHEMBL7007034

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cn3nc4ccccc4n3)sc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 8/20 0.45
PDE1A P54750 7/20 0.45
PDE1C Q14123 7/20 0.45
PDE2A O00408 4/20 0.45
SLC16A1 P53985 8/20 0.41
CYP2C9 P11712 6/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7004668 0.85 SLC16A1 (0.46) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7005664 0.83 PDE1A (0.43) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7005435 0.83 PDE1B (0.57) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864831 0.80 SLC16A1 (0.58) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864669 0.80 PDE1B (0.47) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7007438 0.79 SLC16A1 (0.44) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864675 0.79 LMNA (0.44) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL6808474 0.79 MAPK1 (0.49) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7007060 0.79 SLC16A1 (0.43) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL7014557 0.78 PDE1A (0.42) 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 8 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-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP claimed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO 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