SCHEMBL23679644

SCHEMBL23679644

C=C1C[C@@H](COP(=O)(O)O[C@H]2C(O)[C@@H](COP(=O)(O)O)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1n1cnc2c(N)cncc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ RNASEL Q05823 7/20 0.50
▸ TGM2 P21980 1/20 0.49
▸ NT5E P21589 1/20 0.49
▸ FUT5 Q11128 1/20 0.48
▸ KRAS P01116 2/20 0.47
▸ IMPDH2 P12268 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
SCHEMBL23679394 0.89 TAS1R3 (0.52) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL22193777 0.80 RNASEL (0.59) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL2315645 0.79 NT5E (0.69) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL31310507 0.78 TAS1R3 (0.67) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL29324484 0.77 TAS1R3 (0.53) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL18937290 0.77 RNASEL (0.69) RNASEL
SCHEMBL19186042 0.77 RNASEL (0.69) RNASEL
SCHEMBL18320601 0.77 NT5E (0.72) TAS1R3TAS1R1RNASELTGM2NT5E
SCHEMBL29324598 0.77 POLB (0.49) TAS1R3TAS1R1TGM2NT5EFUT5
SCHEMBL25389352 0.77 NT5E (0.68) TAS1R3TAS1R1TGM2NT5EFUT5

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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