SCHEMBL14234076

SCHEMBL14234076

NCc1ncnc2c1nc(Br)n2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ PNP P00491 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADRB1 P08588 1/20 0.42
▸ DNMT1 P26358 1/20 0.42
▸ NADK O95544 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
SCHEMBL441053 0.88 HIF1A (0.51) ADORA3ADORA2AHIF1APIM1CSNK2A2
SCHEMBL14253676 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL30366664 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL20419331 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL29283551 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL24420987 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL29673055 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL659995 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL440599 0.87 ADORA2A (0.64) ADORA3ADORA2AHIF1APNPLMNA
SCHEMBL5981544 0.86 HIF1A (0.52) ADORA3ADORA2AHIF1APIM1CSNK2A2

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-2012164484-A1 ADENOSINE OR DEOXYADENOSINE DERIVATIVES MODIFIED AT POSITION 8 AND A METHOD OF SYNTHESIS THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2012-12-06 — — WO disclosed
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