SCHEMBL16637435

SCHEMBL16637435

Cc1c(OC(=O)O)sc2c1c(=O)n(CC(F)(F)c1ccccc1)c(=O)n2CCC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 18/20 0.52
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
ADORA3 P0DMS8 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL16637412 0.89 ADORA2B (0.66) ADORA2B
SCHEMBL16637434 0.87 ADORA2B (0.54) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL19611062 0.86 ADORA2B (0.64) ADORA2BACACBACACA
SCHEMBL18096985 0.84 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL16644020 0.84 ADORA2B (0.49) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637950 0.83 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL16637528 0.83 ADORA2B (0.52) ADORA2BACACBACACA
SCHEMBL16637540 0.83 ADORA2B (0.65) ADORA2BACACBACACA
SCHEMBL16637879 0.81 ADORA2B (0.49) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19611059 0.80 ADORA2B (0.52) 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