SCHEMBL7006986

SCHEMBL7006986

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3ccccn3)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 11/20 0.43
CYP2C9 P11712 6/20 0.42
CYP3A4 P08684 6/20 0.42
PDE1A P54750 5/20 0.42
PDE1B Q01064 5/20 0.42
PDE1C Q14123 5/20 0.42
PDE2A O00408 4/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SLC16A7 O60669 1/20 0.40
PARG Q86W56 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
CAMK2B Q13554 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
PDE5A O76074 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
SCHEMBL5864831 0.83 SLC16A1 (0.58) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL5864669 0.83 PDE1B (0.47) SLC16A1PDE1APDE1BPDE1CPDE2A
SCHEMBL5864675 0.82 LMNA (0.44) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL7011267 0.81 PDE1B (0.39) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL7497166 0.81 SLC16A1 (0.45) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL5865214 0.81 ALDH1A1 (0.45) SLC16A1CYP2C9CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL5864889 0.80 SLC16A1 (0.42) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL7008583 0.80 TBXAS1 (0.42) SLC16A1CYP2C9CYP3A4PDE1APDE1B
SCHEMBL8162346 0.80 SLC16A1 (0.44) SLC16A1CYP2C9CYP3A4MAPKAPK2CAMK2B
SCHEMBL5864895 0.80 PDE3B (0.47) SLC16A1CYP2C9CYP3A4SLC16A7MAPKAPK2

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