SCHEMBL5864823

SCHEMBL5864823

CC(C)Cn1c(=O)n(C)c(=O)c2c(Sc3ccc(N)cc3)c(Cc3cccc4ccccc34)sc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC16A1 P53985 19/20 0.70
CYP2C9 P11712 4/20 0.70
MAPKAPK2 P49137 1/20 0.70
CAMK2B Q13554 1/20 0.70
HIPK4 Q8NE63 1/20 0.70
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5864686 0.93 SLC16A1 (0.67) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864596 0.89 SLC16A1 (0.64) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864680 0.88 SLC16A1 (0.66) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864705 0.87 SLC16A1 (0.69) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864639 0.86 SLC16A1 (0.65) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5865296 0.85 SLC16A1 (0.68) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864616 0.85 SLC16A1 (0.63) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864922 0.84 SLC16A1 (0.67) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864633 0.84 SLC16A1 (0.84) SLC16A1CYP2C9MAPKAPK2CAMK2BHIPK4
SCHEMBL5864668 0.83 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 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