SCHEMBL5864913

SCHEMBL5864913

CC(=O)Nc1cccc(Sc2c(Cc3cccc4ccccc34)sc3c2c(=O)n(C)c(=O)n3CC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 20/20 0.64
CYP2C9 P11712 5/20 0.64
MAPKAPK2 P49137 1/20 0.64
CAMK2B Q13554 1/20 0.64
HIPK4 Q8NE63 1/20 0.64
CYP3A4 P08684 2/20 0.44

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
SCHEMBL5864734 0.93 SLC16A1 (0.62) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864705 0.88 SLC16A1 (0.69) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864686 0.86 SLC16A1 (0.67) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864639 0.85 SLC16A1 (0.65) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864823 0.83 SLC16A1 (0.70) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864616 0.83 SLC16A1 (0.63) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864911 0.82 SLC16A1 (0.61) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864680 0.81 SLC16A1 (0.66) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864820 0.80 SLC16A1 (0.80) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864668 0.79 SLC16A1 (0.79) 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 6 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
EP-0991653-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2002-10-16 EP disclosed