SCHEMBL5864895

SCHEMBL5864895

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3ccccc3Br)sc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
SLC16A1 P53985 18/20 0.43
CYP2C9 P11712 2/20 0.42
MAPKAPK2 P49137 1/20 0.42
CAMK2B Q13554 1/20 0.42
HIPK4 Q8NE63 1/20 0.42
CYP3A4 P08684 1/20 0.40
SLC16A7 O60669 1/20 0.39

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
SCHEMBL5865214 0.88 ALDH1A1 (0.45) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL8162346 0.87 SLC16A1 (0.44) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864692 0.86 SLC16A1 (0.56) PDE3BPDE3ASLC16A1CYP2C9MAPKAPK2
SCHEMBL5864891 0.85 SLC16A1 (0.43) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864669 0.84 PDE1B (0.47) PDE3BPDE3ASLC16A1
SCHEMBL7666935 0.83 SLC16A1 (0.43) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864831 0.82 SLC16A1 (0.58) PDE3BPDE3ASLC16A1CYP2C9MAPKAPK2
SCHEMBL7010765 0.80 SLC16A1 (0.38) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864838 0.80 ALDH1A1 (0.41) PDE3BPDE3ASLC16A1CYP2C9MAPKAPK2
SCHEMBL7497166 0.80 SLC16A1 (0.45) PDE3BPDE3ASLC16A1CYP2C9MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US claimed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US claimed
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP claimed
US-6984644-B2 Treatment of skin disorders using thieno[2,3-D]pyrimidinediones ASTRAZENECA AB (SE) 2006-01-10 US disclosed
US-6469014-B1 IMMUNOSUPPRESSIVE ACTIVITY ASTRAZENECA AB (SE) 2002-10-22 US disclosed