SCHEMBL7005664

SCHEMBL7005664

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cn3nnc4ccccc43)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 0.43
PDE1B Q01064 6/20 0.43
PDE1C Q14123 6/20 0.43
PDE2A O00408 4/20 0.43
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
SLC16A1 P53985 6/20 0.40
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC9A1 P19634 2/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 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
SCHEMBL7007034 0.83 PDE1B (0.45) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7007060 0.82 SLC16A1 (0.43) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7005435 0.82 PDE1B (0.57) PDE1APDE1BPDE1CPDE2AAPAF1
SCHEMBL7007438 0.79 SLC16A1 (0.44) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL7004668 0.78 SLC16A1 (0.46) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL3830034 0.77 SLC16A1 (0.55) APAF1POLBSLC16A1CYP2C9CYP3A4
SCHEMBL5864831 0.76 SLC16A1 (0.58) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL5864669 0.76 PDE1B (0.47) PDE1APDE1BPDE1CPDE2ASLC16A1
SCHEMBL6808474 0.75 MAPK1 (0.49) PDE1APDE1BPDE1CPDE2APOLB
SCHEMBL5864675 0.75 LMNA (0.44) PDE1APDE1BPDE1CPDE2APOLB

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