SCHEMBL28636803

SCHEMBL28636803

Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)C[C@H]3O)c2n1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 2/20 0.42
ADRB1 P08588 1/20 0.42
SLC29A1 Q99808 1/20 0.41
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
PNP P00491 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.36
GMNN O75496 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
HBB P68871 1/20 0.36
PMP22 Q01453 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
SCHEMBL646777 0.83 CYP1A2 (0.46) DNMT1ADRB1SLC29A1LMNATP53
SCHEMBL9063510 0.81 ADRB1 (0.61) DNMT1ADRB1LMNATP53HTT
SCHEMBL29145925 0.80 ALDH1A1 (0.55) DNMT1ADRB1LMNATP53HTT
SCHEMBL23414481 0.80 LMNA (0.59) DNMT1SLC29A1LMNATP53HTT
SCHEMBL28696211 0.79 SLC29A1 (0.42) DNMT1ADRB1SLC29A1LMNATP53
SCHEMBL543090 0.78 SLC29A1 (0.41) DNMT1ADRB1SLC29A1LMNAPDE3A
SCHEMBL10678678 0.76 DNMT1 (0.62) DNMT1ADRB1SLC29A1LMNATP53
SCHEMBL10678675 0.76 DNMT1 (0.62) DNMT1ADRB1SLC29A1LMNATP53
SCHEMBL6858256 0.75 CYP1A2 (0.45) SLC29A1LMNATP53HTTPNP
SCHEMBL4370984 0.75 CYP1A2 (0.45) SLC29A1LMNATP53HTTPNP

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
CN-113423713-A Synthesis of 1,2, 5-tri-O-benzoyl-3-dibenzylamino-3-deoxyribose as an intermediate for the production of 3 '-amino-3' -deoxyadenosine and 3 '-amino-3' -deoxyguanosine and protected derivatives thereof 百时美施贵宝公司 2021-09-21 CN disclosed
CN-113423713-A Synthesis of 1,2, 5-tri-O-benzoyl-3-dibenzylamino-3-deoxyribose as an intermediate for the production of 3 '-amino-3' -deoxyadenosine and 3 '-amino-3' -deoxyguanosine and protected derivatives thereof 百时美施贵宝公司 2021-09-21 CN disclosed