SCHEMBL5865129

SCHEMBL5865129

CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3cccc(C#N)c3)sc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.36
DPP4 P27487 2/20 0.36
SLC16A1 P53985 8/20 0.35
CYP2C9 P11712 3/20 0.35
MAPKAPK2 P49137 1/20 0.35
CAMK2B Q13554 1/20 0.35
HIPK4 Q8NE63 1/20 0.35
PDE2A O00408 3/20 0.35
PDE1A P54750 3/20 0.35
PDE1B Q01064 3/20 0.35
PDE1C Q14123 3/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 2/20 0.33
TNF P01375 1/20 0.33

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
SCHEMBL5865248 0.86 PDE1A (0.41) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864724 0.85 LMNA (0.42) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864531 0.82 PTGS1 (0.39) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL7004534 0.81 PDE1A (0.41) PARGSLC16A1CYP2C9MAPKAPK2CAMK2B
SCHEMBL5865074 0.80 PARG (0.41) PARGDPP4SLC16A1CYP2C9MAPKAPK2
SCHEMBL7007349 0.78 PDE1A (0.38) PARGSLC16A1CYP2C9MAPKAPK2CAMK2B
SCHEMBL5864781 0.77 SLC16A1 (0.47) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5865238 0.77 SMN1; SMN2 (0.43) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5865253 0.77 PARG (0.37) PARGSLC16A1CYP2C9MAPKAPK2CAMK2B
SCHEMBL7006740 0.76 PDE1A (0.38) PARGSLC16A1CYP2C9MAPKAPK2CAMK2B

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