SCHEMBL7004668

SCHEMBL7004668

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cn3cc4ccccc4n3)sc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 7/20 0.46
PDE1A P54750 6/20 0.41
PDE1B Q01064 6/20 0.41
PDE1C Q14123 6/20 0.41
PDE2A O00408 3/20 0.41
CYP2C9 P11712 5/20 0.38
CYP3A4 P08684 3/20 0.38
MAPKAPK2 P49137 1/20 0.38
CAMK2B Q13554 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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 0.85 PDE1B (0.45) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864675 0.79 LMNA (0.44) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7007060 0.78 SLC16A1 (0.43) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7005435 0.78 PDE1B (0.57) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7005664 0.78 PDE1A (0.43) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL7007438 0.77 SLC16A1 (0.44) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL6808474 0.77 MAPK1 (0.49) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864831 0.76 SLC16A1 (0.58) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864669 0.76 PDE1B (0.47) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864692 0.76 SLC16A1 (0.56) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B

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 4 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