SCHEMBL22757464

SCHEMBL22757464

CNC(=O)[C@@H]1CC[C@H](n2cnc3c(Cl)cc(Br)nc32)O1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.41
▸ ADORA1 P30542 4/20 0.38
▸ ADORA2A P29274 3/20 0.37
▸ YTHDC1 Q96MU7 1/20 0.36

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
SCHEMBL22757465 0.89 ADORA3 (0.39) ADORA3ADORA1ADORA2A
SCHEMBL22757345 0.73 ADORA3 (0.49) ADORA3ADORA1ADORA2A
SCHEMBL29316617 0.71 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL22757500 0.70 ADORA3 (0.55) ADORA3ADORA1ADORA2A
SCHEMBL22757342 0.69 PNP (0.65) ADORA3ADORA1
SCHEMBL22757418 0.68 ADORA3 (0.39) ADORA3ADORA1ADORA2A
SCHEMBL22757470 0.68 ADORA1 (0.41) ADORA3ADORA1ADORA2A
SCHEMBL22757330 0.68 ADORA3 (0.46) ADORA3ADORA1ADORA2A
SCHEMBL24600792 0.68 LMNA (0.47) ADORA3YTHDC1
SCHEMBL24600774 0.67 ADORA3 (0.38) ADORA3ADORA1ADORA2A

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
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