SCHEMBL20763046

SCHEMBL20763046

COP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1OP(=O)(O)OCC1CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.57
▸ TGM2 P21980 1/20 0.57
▸ NT5E P21589 1/20 0.56
▸ P2RY2 P41231 1/20 0.53
▸ P2RY4 P51582 1/20 0.53
▸ P2RY6 Q15077 1/20 0.53
▸ KRAS P01116 8/20 0.52
▸ RNASEL Q05823 1/20 0.50
▸ IMPDH2 P12268 1/20 0.50
▸ IMPDH1 P20839 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ DCPS Q96C86 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ HINT1 P49773 1/20 0.49

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
SCHEMBL20762956 0.90 TGM2 (0.65) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL25552773 0.90 TGM2 (0.60) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL20324735 0.90 RNASEL (0.62) P2RY2RNASELTAS1R3TAS1R1
SCHEMBL20762967 0.89 POLB (0.54) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL20762962 0.89 POLB (0.54) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL23477132 0.89 FUT5 (0.60) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL23477177 0.87 FUT5 (0.57) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL23477212 0.87 FUT5 (0.58) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL25070726 0.86 TGM2 (0.66) FUT5TGM2NT5EP2RY2P2RY4
SCHEMBL23477028 0.86 FUT5 (0.58) FUT5TGM2NT5EP2RY2P2RY4

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-2019034866-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 — — WO disclosed
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