SCHEMBL8897427

SCHEMBL8897427

Nc1nc2c(ncn2[C@@H]2O[C@H](OCP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[NaH].[NaH]

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.65
▸ HPRT1 P00492 1/20 0.59
▸ TGM2 P21980 1/20 0.58
▸ HINT1 P49773 4/20 0.55
▸ KRAS P01116 10/20 0.53
▸ GSK3A P49840 2/20 0.52
▸ RPS6KA3 P51812 2/20 0.52
▸ MAPK14 Q16539 2/20 0.52
▸ FUT5 Q11128 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
SCHEMBL21057089 0.91 NT5E (0.61) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300464 0.91 NT5E (0.58) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300460 0.89 NT5E (0.59) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12300422 0.89 NT5E (0.56) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL18841403 0.86 NT5E (0.64) NT5ETGM2HINT1KRASGSK3A
SCHEMBL21128140 0.85 NT5E (0.57) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL21128395 0.85 NT5E (0.57) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL8883219 0.83 POLB (0.61) NT5EHPRT1TGM2
SCHEMBL12300425 0.83 HPRT1 (0.55) NT5EHPRT1TGM2HINT1KRAS
SCHEMBL12154664 0.82 HPRT1 (0.61) NT5EHPRT1TGM2HINT1KRAS

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-0398231-B1 Nucleoside analogs ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1997-07-16 — — EP disclosed
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