SCHEMBL31552867

SCHEMBL31552867

CO[C@]1(O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](COP(=O)(O)O)[C@]1(O)C(=O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ NT5E P21589 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ IMPDH2 P12268 4/20 0.45
▸ IMPDH1 P20839 1/20 0.45
▸ KRAS P01116 4/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ HINT1 P49773 1/20 0.42
▸ PNP P00491 1/20 0.42
▸ HPRT1 P00492 1/20 0.41

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
SCHEMBL31552879 0.93 TGM2 (0.47) TAS1R3TAS1R1NT5EPOLBKRAS
SCHEMBL31552877 0.93 TGM2 (0.47) TAS1R3TAS1R1NT5EPOLBKRAS
SCHEMBL18744141 0.82 NT5E (0.51) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL29093004 0.79 NT5E (0.56) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL843560 0.78 NT5E (0.56) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL12231404 0.77 NT5E (0.58) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL15468735 0.76 NT5E (0.57) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL12194800 0.76 NT5E (0.57) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL12939473 0.76 NT5E (0.57) TAS1R3TAS1R1NT5EPOLBIMPDH2
SCHEMBL10819909 0.76 NT5E (0.57) TAS1R3TAS1R1NT5EPOLBIMPDH2

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-2025061911-A1 METHODS OF PRODUCING NUCLEOTIDE TRIPHOSPHATES (NTPS) GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-03-27 — — WO disclosed
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