SCHEMBL30108056

SCHEMBL30108056

Cc1c(C#N)cccc1-c1cc(-n2nnc3cc(O)ccc32)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.47
ADORA2B P29275 13/20 0.45
ADORA1 P30542 1/20 0.45

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
SCHEMBL30107959 0.74 KDM4E (0.44) ADORA2AADORA2BADORA1
SCHEMBL22763959 0.74 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL30107988 0.72 TSHR (0.33) ADORA2A
SCHEMBL30108001 0.72 KDM4E (0.33)
SCHEMBL30108035 0.70 NT5E (0.43) ADORA2AADORA2B
SCHEMBL20400244 0.69 HSP90AA1 (0.54) ADORA2AADORA2B
SCHEMBL30114799 0.69 HSP90AA1 (0.54) ADORA2AADORA2B
SCHEMBL20416550 0.68 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL15757534 0.68 NUDT1 (0.69) ADORA2AADORA2BADORA1
SCHEMBL30080309 0.68 ADORA2A (0.49) ADORA2AADORA2BADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022203399-A1 ADENOSINE A2A RECEPTOR ANTAGONIST AND USE THEREOF 주식회사 스탠다임 2022-09-29 WO disclosed