SCHEMBL26013249

SCHEMBL26013249

N#Cc1c(N)nc(SCc2cccnc2)c(C#N)c1-c1ccc(O[C@@H]2CCOC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.71
ADORA2A P29274 5/20 0.71
ADORA3 P0DMS8 3/20 0.56
ADORA2B P29275 8/20 0.49
RET P07949 1/20 0.44
HTR1B P28222 1/20 0.44
OPRK1 P41145 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL26011053 1.00 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL30511863 0.93 ADORA1 (0.72) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL25362073 0.93 ADORA1 (0.72) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL26017143 0.86 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL26017146 0.86 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL25362702 0.86 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL30511854 0.86 ADORA1 (0.71) ADORA1ADORA2AADORA3ADORA2BRET
SCHEMBL923752 0.85 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BHTR1B
SCHEMBL923751 0.85 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2BHTR1B
SCHEMBL12943384 0.83 ADORA1 (0.73) ADORA1ADORA2AADORA3ADORA2BHTR1B

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-2023158725-A1 ADENOSINE LIGANDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS LUCY THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed