SCHEMBL5865074

SCHEMBL5865074

CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3cccc(C#N)c3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 2/20 0.41
IDH1 O75874 1/20 0.40
PDE1B Q01064 4/20 0.38
PDE1A P54750 3/20 0.38
PDE1C Q14123 3/20 0.38
PDE2A O00408 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.37
DPP4 P27487 3/20 0.37
CLPP Q16740 1/20 0.37
SLC16A1 P53985 4/20 0.36
CYP2C9 P11712 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CAMK2B Q13554 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL5864669 0.85 PDE1B (0.47) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864744 0.85 PDE3B (0.47) PARGPDE1BPDE1APDE1CPDE2A
SCHEMBL5865280 0.82 ADORA2A (0.44) PARGSLC16A1ADORA2AADORA1
SCHEMBL5864716 0.81 PDE1B (0.41) PDE1BPDE1APDE1CPDE2AALDH1A1
SCHEMBL5865129 0.80 PARG (0.36) PARGPDE1BPDE1APDE1CPDE2A
SCHEMBL7008583 0.80 TBXAS1 (0.42) PARGPDE1BPDE1APDE1CPDE2A
SCHEMBL7011267 0.79 PDE1B (0.39) PDE1BPDE1APDE1CPDE2ASLC16A1
SCHEMBL5864838 0.79 ALDH1A1 (0.41) PARGPDE1BPDE1APDE1CPDE2A
SCHEMBL7010765 0.77 SLC16A1 (0.38) PDE1BPDE1APDE1CPDE2AALDH1A1
SCHEMBL5864692 0.76 SLC16A1 (0.56) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4

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