SCHEMBL16637662

SCHEMBL16637662

CCCn1c(=O)c2c(C)c(OC(=O)O)sc2n(CCOC(F)(F)F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 19/20 0.47
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL19611091 0.92 ADORA2B (0.53) ADORA2B
SCHEMBL16637703 0.88 ADORA2B (0.38) ADORA2B
SCHEMBL16637661 0.87 ADORA2B (0.57) ADORA2BACACBACACA
SCHEMBL16637950 0.87 ADORA2B (0.56) ADORA2BACACBACACA
SCHEMBL16637752 0.86 ADORA2B (0.62) ADORA2B
SCHEMBL19611089 0.86 ADORA2B (0.62) ADORA2BACACBACACA
SCHEMBL16644068 0.81 ADORA2B (0.51) ADORA2BACACBACACA
SCHEMBL16637736 0.80 ADORA2B (0.42) ADORA2B
SCHEMBL16643807 0.79 ADORA2B (0.55) ADORA2BACACBACACA
SCHEMBL18096985 0.79 ADORA2B (0.60) ADORA2BACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055313-B1 CYCLIC THIENOURACIL CARBOXAMIDE AND ITS USE Bayer Pharma AG (DE) 2017-11-22 EP 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