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SCHEMBL18769147

SCHEMBL18769147

C=C(O)[C@H]1C(n2cnc3c(=O)[nH]c(N)nc32)OC(COP(=O)(O)OCC(COP(=O)(O)OCC2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)OP(=O)(O)O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.62
▸ NT5E P21589 1/20 0.62
▸ KRAS P01116 8/20 0.58
▸ IMPDH2 P12268 7/20 0.57
▸ FUT5 Q11128 1/20 0.57
▸ P2RY2 P41231 1/20 0.56
▸ P2RY4 P51582 1/20 0.56
▸ P2RY6 Q15077 1/20 0.56
▸ IMPDH1 P20839 2/20 0.54
▸ HINT1 P49773 1/20 0.52

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
SCHEMBL18741084 0.93 NT5E (0.71) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL18758957 0.93 NT5E (0.71) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL21171852 0.93 NT5E (0.71) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL18769144 0.93 NT5E (0.71) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL21184245 0.90 TGM2 (0.66) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL21162739 0.90 TGM2 (0.66) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL18769384 0.88 TGM2 (0.64) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL21725246 0.87 TGM2 (0.65) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL8202050 0.85 NT5E (0.83) TGM2NT5EKRASIMPDH2FUT5
SCHEMBL21184381 0.84 TGM2 (0.64) TGM2NT5EKRASIMPDH2FUT5

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-2017066781-A1 MRNA CAP ANALOGS WITH MODIFIED PHOSPHATE LINKAGE MODERNATX, INC. (US) 2017-04-20 — — WO disclosed
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