SCHEMBL7022074

SCHEMBL7022074

Cc1cn(C)c2c(=O)n(CCC(C)(S)CS)c(=O)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL7022079 1.00 ADORA2B (0.30) ADORA2BBRD4
SCHEMBL7022213 0.88 BRD4 (0.31) BRD4
SCHEMBL7022215 0.88 BRD4 (0.31) BRD4
SCHEMBL7019988 0.81
SCHEMBL7019989 0.81
SCHEMBL7012478 0.77 ADORA3 (0.33) ADORA2B
SCHEMBL7016350 0.77 BRD4 (0.32) BRD4
SCHEMBL7016348 0.77 BRD4 (0.32) BRD4
SCHEMBL7012482 0.77 ADORA3 (0.33) ADORA2B
SCHEMBL7017549 0.75 BRD4 (0.33) BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed