SCHEMBL16637639

SCHEMBL16637639

COC(C)Cn1c(=O)c2c(C)c(OC(=O)O)sc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.49
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL16637879 0.91 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19611096 0.89 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16637638 0.88 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3
SCHEMBL18096985 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3
SCHEMBL18097102 0.84 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16637950 0.84 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19923933 0.83 ADORA2B (0.45) ADORA2BADORA2AADORA1ADORA3
SCHEMBL18096908 0.82 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16644030 0.82 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3
SCHEMBL19923953 0.81 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3

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