SCHEMBL16637551

SCHEMBL16637551

CCn1c(=O)c2c(C(C)F)c(OC(=O)O)sc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.48
ADORA2A P29274 5/20 0.47
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 3/20 0.43
TRPC5 Q9UL62 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 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
SCHEMBL16637443 0.93 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3MAPK1
SCHEMBL18096985 0.86 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL16637503 0.85 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3TRPC5
SCHEMBL16637549 0.85 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19611090 0.85 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3MAPK1
SCHEMBL19611080 0.84 ADORA2B (0.41) ADORA2BADORA2AADORA1ADORA3TRPC5
SCHEMBL16637636 0.84 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3MAPK1
SCHEMBL16637657 0.84 ADORA2B (0.51) ADORA2BADORA2AADORA1ADORA3MAPK1
SCHEMBL16643862 0.81 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3MAPK1
SCHEMBL16637736 0.80 ADORA2B (0.42) ADORA2BADORA2AADORA1ADORA3MAPK1

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