SCHEMBL20419331

SCHEMBL20419331

Nc1ncnc2c1nc(Br)n2[C@H]1C[C@@H](O)[C@@H](CO)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.64
ADORA3 P0DMS8 4/20 0.64
NADK O95544 2/20 0.54
HSPA5 P11021 2/20 0.53
HSPA8 P11142 2/20 0.53
ADORA1 P30542 4/20 0.51
ADORA2B P29275 3/20 0.51
HIF1A Q16665 1/20 0.50
RXFP1 Q9HBX9 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PNP P00491 1/20 0.49
HTT P42858 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
HSD17B10 Q99714 1/20 0.47
GAPDH P04406 1/20 0.47
TRPM2 O94759 1/20 0.47
HBB P68871 1/20 0.46

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
SCHEMBL29673055 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL659995 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL29283551 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL14253676 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL30366664 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL24420987 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL440599 1.00 ADORA2A (0.64) ADORA2AADORA3NADKHSPA5HSPA8
Phosphoric Acid SCHEMBL16208889 0.95 ADORA3 (0.59) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL7047708 0.89 ADORA3 (0.54) ADORA2AADORA3NADKHSPA5HSPA8
SCHEMBL658005 0.88 ADORA3 (0.67) ADORA2AADORA3HSPA5HSPA8HIF1A

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 2 patents. 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
WO-2018133854-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-07-26 WO disclosed