SCHEMBL27064221

SCHEMBL27064221

Nc1nc(OC[C@H]2O[C@@H](n3c(OCc4ccccc4)nc4c(N)ncnc43)CC2O)nc2c1nc(Br)n2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.53
▸ ADORA3 P0DMS8 3/20 0.53
▸ TRPM2 O94759 1/20 0.47
▸ ADORA2B P29275 3/20 0.43
▸ HSPA5 P11021 1/20 0.43
▸ SLC28A2 O43868 3/20 0.41
▸ HSPA8 P11142 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ GAPDH P04406 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ATG7 O95352 1/20 0.38
▸ NADK O95544 1/20 0.38
▸ ADORA1 P30542 2/20 0.38
▸ PRMT5 O14744 1/20 0.38

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
SCHEMBL23215196 0.87 ADORA3 (0.67) ADORA2AADORA3TRPM2HSPA5SLC28A2
SCHEMBL29673048 0.87 ADORA3 (0.67) ADORA2AADORA3TRPM2HSPA5SLC28A2
SCHEMBL29283549 0.87 ADORA3 (0.67) ADORA2AADORA3TRPM2HSPA5SLC28A2
SCHEMBL23240747 0.87 ADORA3 (0.67) ADORA2AADORA3TRPM2HSPA5SLC28A2
SCHEMBL29283548 0.87 ADORA3 (0.67) ADORA2AADORA3TRPM2HSPA5SLC28A2
SCHEMBL14253676 0.80 ADORA2A (0.64) ADORA2AADORA3TRPM2ADORA2BHSPA5
SCHEMBL29673055 0.80 ADORA2A (0.64) ADORA2AADORA3TRPM2ADORA2BHSPA5
SCHEMBL24420987 0.80 ADORA2A (0.64) ADORA2AADORA3TRPM2ADORA2BHSPA5
SCHEMBL659995 0.80 ADORA2A (0.64) ADORA2AADORA3TRPM2ADORA2BHSPA5
SCHEMBL440599 0.80 ADORA2A (0.64) ADORA2AADORA3TRPM2ADORA2BHSPA5

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
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 — — US disclosed
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