SCHEMBL22757359

SCHEMBL22757359

CNC(=O)[C@@H]1C[C@@H](OC(C)(C)O)[C@H](n2cnc3c(NC)nc(I)nc32)O1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.52
ADORA1 P30542 6/20 0.51
ADORA2A P29274 4/20 0.51
ADORA2B P29275 1/20 0.45
P2RY1 P47900 2/20 0.41
IARS1 P41252 1/20 0.41

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
SCHEMBL22757488 0.90 ADORA3 (0.49) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22757466 0.78 ADORA3 (0.45) ADORA3ADORA1ADORA2A
SCHEMBL22757471 0.77 ADORA3 (0.41) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24600770 0.74 ADORA3 (0.51) ADORA3ADORA1ADORA2A
SCHEMBL23585883 0.71 ADORA3 (0.46) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL22750501 0.70 ADORA3 (0.61) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL14069237 0.70 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24601458 0.70 ADORA3 (0.50) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL19837865 0.68 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BIARS1
SCHEMBL4805543 0.67 LMNA (0.65) ADORA3ADORA1ADORA2AIARS1

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-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 WO disclosed