SCHEMBL16637277

SCHEMBL16637277

CCn1c(=O)c2c(C)c(C(=O)N3CCC(CC(=O)O)CC3)sc2n(CCCC(F)(F)F)c1=O

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.72
ADORA2A P29274 5/20 0.72
ADORA1 P30542 5/20 0.72
ADORA3 P0DMS8 3/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
RORC P51449 1/20 0.34

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
SCHEMBL16637604 0.89 ADORA2B (0.89) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16636753 0.87 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16636958 0.87 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16637831 0.87 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16637799 0.85 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL18010219 0.85 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL16637471 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL19611071 0.85 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL19611067 0.85 ADORA2B (0.65) ADORA2BADORA2AADORA1
SCHEMBL16636712 0.84 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3MEN1

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