SCHEMBL25720717

SCHEMBL25720717

CC(=O)OC[C@H]1[C@@H](OC(C)=O)[C@H](Cn2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLG P54098 2/20 0.54
▸ PNP P00491 3/20 0.53
▸ POLB P06746 3/20 0.47
▸ POLA1 P09884 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ KRAS P01116 2/20 0.46
▸ FUT5 Q11128 1/20 0.46
▸ P2RY2 P41231 1/20 0.45
▸ P2RY4 P51582 1/20 0.45
▸ P2RY6 Q15077 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ NT5E P21589 1/20 0.42
▸ HPRT1 P00492 3/20 0.42

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
SCHEMBL17198456 0.87 TGM2 (0.58) POLBTGM2KRASFUT5P2RY2
SCHEMBL25723534 0.87 RNASEL (0.47) P2RY6NT5E
SCHEMBL25712587 0.87 RNASEL (0.44) POLGP2RY6
SCHEMBL18503529 0.81 TGM2 (0.58) POLBTGM2KRASFUT5P2RY2
SCHEMBL26882941 0.80 TAS1R3 (0.65) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL18512681 0.80 ALDH1A1 (0.50) POLGPNPPOLBTGM2KRAS
SCHEMBL26883118 0.80 TAS1R3 (0.65) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL26632575 0.80 TAS1R3 (0.65) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL26632570 0.80 TAS1R3 (0.65) TGM2KRASFUT5P2RY2P2RY4
SCHEMBL31724981 0.79 TAS1R3 (0.66) TGM2KRASFUT5P2RY2P2RY4

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 — — EP disclosed
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