SCHEMBL18744141

SCHEMBL18744141

CC1(O)[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C1(C)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ IMPDH2 P12268 6/20 0.49
▸ IMPDH1 P20839 2/20 0.49
▸ TGM2 P21980 1/20 0.48
▸ PNP P00491 2/20 0.47
▸ HPRT1 P00492 1/20 0.47
▸ HINT1 P49773 1/20 0.45
▸ FUT5 Q11128 1/20 0.45
▸ KRAS P01116 2/20 0.44

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
SCHEMBL19774687 0.86 NT5E (0.49) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL15468735 0.84 NT5E (0.57) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL12194800 0.84 NT5E (0.57) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL12939473 0.84 NT5E (0.57) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL10819909 0.84 NT5E (0.57) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL1577230 0.84 NT5E (0.57) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL15831212 0.83 NT5E (0.53) NT5EPOLBTAS1R3TAS1R1IMPDH2
SCHEMBL18271830 0.83 P2RX3 (0.45) POLBTGM2PNPFUT5KRAS
SCHEMBL18290456 0.83 P2RX3 (0.45) POLBTGM2PNPFUT5KRAS
SCHEMBL31552867 0.82 TAS1R3 (0.49) NT5EPOLBTAS1R3TAS1R1IMPDH2

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
US-9624249-B2 Nucleoside kinase bypass compositions and methods MERCK SHARP & DOHME CORP. (US) 2017-04-18 — — US disclosed
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