SCHEMBL5865280

SCHEMBL5865280

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ADORA2B P29275 2/20 0.44
ADORA1 P30542 2/20 0.44
POLB P06746 1/20 0.43
SLC16A1 P53985 12/20 0.42
PARG Q86W56 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.40
EGFR P00533 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
SCHEMBL5864761 0.89 SLC16A1 (0.42) SLC16A1PARG
SCHEMBL5864744 0.87 PDE3B (0.47) ADORA2AADORA2BADORA1SLC16A1PARG
SCHEMBL5864669 0.85 PDE1B (0.47) SLC16A1LMNASMN1; SMN2
SCHEMBL5864716 0.81 PDE1B (0.41) SLC16A1SMN1; SMN2
SCHEMBL5864728 0.80 POLB (0.43) ADORA2AADORA2BADORA1POLBSLC16A1
SCHEMBL7008583 0.80 TBXAS1 (0.42) SLC16A1PARG
SCHEMBL7011267 0.79 PDE1B (0.39) ADORA1SLC16A1
SCHEMBL5864838 0.79 ALDH1A1 (0.41) ADORA1POLBSLC16A1PARGLMNA
SCHEMBL6752243 0.78 SLC16A1 (0.51) SLC16A1
SCHEMBL7010765 0.77 SLC16A1 (0.38) ADORA2AADORA2BADORA1SLC16A1SMN1; SMN2

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