SCHEMBL19147349

SCHEMBL19147349

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(N)(=O)S)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ TGM2 P21980 1/20 0.54
▸ FUT5 Q11128 1/20 0.51
▸ HINT1 P49773 2/20 0.49
▸ P2RY2 P41231 1/20 0.48
▸ P2RY4 P51582 1/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ PNP P00491 1/20 0.48
▸ KRAS P01116 4/20 0.48
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ STING1 Q86WV6 2/20 0.47
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ IMPDH2 P12268 1/20 0.47
▸ HPRT1 P00492 1/20 0.47

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
SCHEMBL22352197 0.93 NT5E (0.58) NT5EPOLBTGM2FUT5HINT1
SCHEMBL2922052 0.91 POLB (0.61) NT5EPOLBTGM2FUT5HINT1
SCHEMBL20442307 0.91 POLB (0.61) NT5EPOLBTGM2FUT5HINT1
Deoxy Adenosinediphosphate SCHEMBL5827743 0.87 TGM2 (0.63) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL22352187 0.87 TGM2 (0.59) NT5EPOLBTGM2FUT5HINT1
Deoxy Adenosinediphosphate SCHEMBL5827749 0.87 TGM2 (0.63) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL1913809 0.86 TGM2 (0.62) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL7065119 0.86 TGM2 (0.62) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL25712474 0.86 TGM2 (0.62) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL646778 0.86 HINT1 (0.54) NT5EPOLBTGM2FUT5HINT1

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-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO disclosed
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