SCHEMBL16637159

SCHEMBL16637159

CCn1c(=O)c2c(C)c(OC(=O)O)sc2n(CCOC)c1=O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.71
ADORA3 P0DMS8 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL16637752 0.92 ADORA2B (0.62) ADORA2B
SCHEMBL19611091 0.86 ADORA2B (0.53) ADORA2BADORA3ADORA2AADORA1
SCHEMBL16637157 0.85 ADORA2B (0.71) ADORA2BADORA3ADORA2AADORA1
SCHEMBL19611069 0.83 ADORA2B (0.78) ADORA2B
SCHEMBL18096985 0.83 ADORA2B (0.60) ADORA2BADORA3ADORA2AADORA1
SCHEMBL18097066 0.82 ADORA2B (0.70) ADORA2BADORA3ADORA2AADORA1
SCHEMBL18097365 0.81 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1MAPK1
SCHEMBL16637408 0.81 ADORA2B (0.47) ADORA2BADORA3ADORA2AADORA1
SCHEMBL18097027 0.81 ADORA2B (0.73) ADORA2BADORA3ADORA2AADORA1
SCHEMBL16637412 0.81 ADORA2B (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3274352-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-01-31 EP disclosed
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP disclosed
WO-2016150901-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 WO disclosed
EP-3055313-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052065-A1 CYCLIC THIENOURACIL-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-16 WO disclosed