SCHEMBL16637408

SCHEMBL16637408

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.47
ADORA2A P29274 5/20 0.41
ADORA1 P30542 5/20 0.41
ADORA3 P0DMS8 3/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL16637406 0.85 ADORA2B (0.49) ADORA2BADORA2AADORA1ACACBACACA
SCHEMBL16637918 0.85 ADORA2B (0.56) ADORA2BACACBACACA
SCHEMBL18096985 0.82 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL16637347 0.82 ADORA2B (0.49) ADORA2BACACBACACA
SCHEMBL16637555 0.82 ADORA2B (0.46) ADORA2BACACBACACAMEN1KMT2A
SCHEMBL16637159 0.81 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3
SCHEMBL16643792 0.80 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3ACACB
SCHEMBL19611091 0.80 ADORA2B (0.53) ADORA2BADORA2AADORA1ADORA3
Hydrochloric Acid SCHEMBL16637583 0.79 ADORA2B (0.49) ADORA2BACACBACACA
SCHEMBL16642316 0.75 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3ACACB

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