SCHEMBL19611069

SCHEMBL19611069

COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(OC(=O)O)sc21

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.78

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
SCHEMBL19611089 0.88 ADORA2B (0.62) ADORA2B
SCHEMBL16643994 0.88 ADORA2B (1.00) ADORA2B
SCHEMBL19611062 0.86 ADORA2B (0.64) ADORA2B
SCHEMBL18096973 0.86 ADORA2B (0.85) ADORA2B
SCHEMBL18097008 0.85 ADORA2B (1.00) ADORA2B
SCHEMBL18135151 0.85 ADORA2B (0.83) ADORA2B
SCHEMBL16637752 0.85 ADORA2B (0.62) ADORA2B
SCHEMBL16637918 0.84 ADORA2B (0.56) ADORA2B
SCHEMBL14936059 0.84 ADORA2B (1.00) ADORA2B
SCHEMBL19923959 0.84 ADORA2B (0.89) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274352-B1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma AG (DE) 2019-01-02 EP disclosed
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed