SCHEMBL23679806

SCHEMBL23679806

Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)(O)S)C[C@@H]2I)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ POLB P06746 1/20 0.52
▸ TGM2 P21980 1/20 0.51
▸ FUT5 Q11128 1/20 0.50
▸ HPRT1 P00492 1/20 0.48
▸ KRAS P01116 11/20 0.47
▸ HINT1 P49773 1/20 0.47
▸ P2RY2 P41231 1/20 0.46
▸ P2RY4 P51582 1/20 0.46
▸ P2RY6 Q15077 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ PNP P00491 1/20 0.45

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 0.90 NT5E (0.58) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL22056008 0.89 FUT5 (0.54) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL18158965 0.85 NT5E (0.51) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL22524067 0.85 POLB (0.64) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL21896070 0.83 POLB (0.56) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL16221580 0.83 POLB (0.56) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL23679527 0.83 POLB (0.56) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL21417333 0.83 POLB (0.56) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL16221582 0.83 POLB (0.56) NT5EPOLBTGM2FUT5HPRT1
SCHEMBL27275154 0.83 POLB (0.50) NT5EPOLBTGM2FUT5HPRT1

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
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 — — EP disclosed
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