SCHEMBL21454982

SCHEMBL21454982

CO[C@H]1C[C@@H](COP(=O)(O)CO)OC1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ FUT5 Q11128 1/20 0.52
▸ KRAS P01116 10/20 0.51
▸ TGM2 P21980 1/20 0.49
▸ HPRT1 P00492 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ HINT1 P49773 1/20 0.47
▸ IMPDH2 P12268 1/20 0.46
▸ IMPDH1 P20839 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
SCHEMBL20442306 0.89 NT5E (0.59) NT5EPOLBFUT5KRASTGM2
SCHEMBL30612754 0.87 HPGD (0.54) NT5EFUT5HPRT1HPGDHINT1
SCHEMBL12714609 0.87 NT5E (0.70) NT5EPOLBFUT5KRASTGM2
SCHEMBL12714575 0.85 NT5E (0.68) NT5EPOLBFUT5KRASTGM2
SCHEMBL18158915 0.84 NT5E (0.53) NT5EPOLBFUT5KRASTGM2
SCHEMBL18158965 0.83 NT5E (0.51) NT5EPOLBFUT5KRASTGM2
SCHEMBL31583575 0.83 FUT5 (0.53) NT5EPOLBFUT5TGM2HPRT1
SCHEMBL12714572 0.83 FUT5 (0.61) NT5EPOLBFUT5KRASTGM2
SCHEMBL12714596 0.83 FUT5 (0.66) NT5EPOLBFUT5KRASTGM2
SCHEMBL18521008 0.82 FUT5 (0.55) NT5EPOLBFUT5KRASTGM2

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-2019193542-A1 2'3'-CYCLIC DINUCLEOTIDES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) 2019-10-10 — — WO disclosed
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