SCHEMBL22352197

SCHEMBL22352197

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ TGM2 P21980 1/20 0.56
▸ FUT5 Q11128 1/20 0.53
▸ P2RY2 P41231 1/20 0.50
▸ P2RY4 P51582 1/20 0.50
▸ P2RY6 Q15077 1/20 0.50
▸ PNP P00491 1/20 0.50
▸ KRAS P01116 9/20 0.49
▸ HINT1 P49773 1/20 0.49
▸ IMPDH2 P12268 1/20 0.49
▸ HPRT1 P00492 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48

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
SCHEMBL19147349 0.93 NT5E (0.56) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL2922052 0.93 POLB (0.61) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL20442307 0.93 POLB (0.61) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL23679806 0.90 NT5E (0.55) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL20763305 0.89 NT5E (0.58) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL22352187 0.89 TGM2 (0.59) NT5EPOLBTGM2FUT5P2RY2
Deoxy Adenosinediphosphate SCHEMBL5827749 0.89 TGM2 (0.63) NT5EPOLBTGM2FUT5P2RY2
Deoxy Adenosinediphosphate SCHEMBL5827743 0.89 TGM2 (0.63) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL1913809 0.88 TGM2 (0.62) NT5EPOLBTGM2FUT5P2RY2
SCHEMBL25712474 0.88 TGM2 (0.62) NT5EPOLBTGM2FUT5P2RY2

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-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 — — WO disclosed
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