SCHEMBL18097326

SCHEMBL18097326

CCn1c(=O)c2c(C)c(C(=O)O)sc2n(CC)c1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.53
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
BCAT2 O15382 1/20 0.40
HPGD P15428 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
SCHEMBL18010243 0.92 ADORA2B (0.55) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL5430644 0.88 ADORA2B (0.48) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL5438969 0.88 ADORA2B (0.47) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL16637157 0.87 ADORA2B (0.71) ADORA2BADORA2AADORA1
SCHEMBL16643996 0.86 ADORA2B (0.70) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL18096860 0.86 ADORA2B (0.44) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL16637406 0.84 ADORA2B (0.49) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL16643807 0.83 ADORA2B (0.55) ADORA2BADORA2AADORA1MEN1KMT2A
SCHEMBL16637750 0.78 ADORA2B (0.73) ADORA2BACACBACACA
SCHEMBL21905384 0.77 MEN1 (0.47) ADORA2BADORA2AADORA1MEN1KMT2A

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-3274352-B1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma AG (DE) 2019-01-02 EP disclosed
EP-3274352-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2018-01-31 EP disclosed
WO-2016150901-A1 HETEROCYCLYLMETHYL-THIENOURACILE AS ANTAGONISTS OF THE ADENOSINE-A2B-RECEPTOR BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-09-29 WO disclosed