SCHEMBL16637697

SCHEMBL16637697

CC(C)Cn1c(=O)c2c(C(F)F)c(OC(=O)O)sc2n(CCOC(F)(F)F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.34
SLC16A1 P53985 6/20 0.32
TRPC5 Q9UL62 1/20 0.31
GNRHR P30968 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL16637736 0.90 ADORA2B (0.42) ADORA2B
SCHEMBL16637703 0.89 ADORA2B (0.38) ADORA2B
SCHEMBL19611080 0.88 ADORA2B (0.41) ADORA2BSLC16A1TRPC5GNRHRCYP2C9
SCHEMBL16643847 0.87 ADORA2B (0.40) ADORA2BSLC16A1
SCHEMBL16644080 0.82 ADORA2B (0.43) ADORA2BTRPC5
SCHEMBL16637586 0.78 ADORA2B (0.51) ADORA2BSLC16A1CYP2C9
SCHEMBL16637443 0.78 ADORA2B (0.49) ADORA2B
SCHEMBL19611091 0.77 ADORA2B (0.53) ADORA2B
SCHEMBL16637538 0.77 ADORA2B (0.38) ADORA2BSLC16A1CYP2C9
SCHEMBL16637734 0.77 ADORA2B (0.43) 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 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