SCHEMBL14305600

SCHEMBL14305600

C[C@H]1C[C@@H](CO)O[C@H]1n1cc(Br)c2c(N)ncnc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.60
▸ METTL3 Q86U44 13/20 0.54
▸ RAPGEF3 O95398 1/20 0.46

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
SCHEMBL20058772 0.89 ADK (0.61) ADK
SCHEMBL10268710 0.89 ADK (0.61) ADK
SCHEMBL20419234 0.88 ADK (0.59) ADKMETTL3RAPGEF3
SCHEMBL20938262 0.88 ADK (0.59) ADKMETTL3RAPGEF3
SCHEMBL20419136 0.88 ADK (0.59) ADKMETTL3RAPGEF3
SCHEMBL12151806 0.87 ADK (0.47) ADK
SCHEMBL14313964 0.87 ADK (0.47) ADKMETTL3
SCHEMBL13952411 0.87 ADK (0.60) ADKMETTL3
SCHEMBL20059237 0.87 ADK (0.47) ADK
SCHEMBL14154378 0.87 ADK (0.60) ADK

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-7323453-B2 Methods of inhibiting orthopoxvirus replication with nucleoside compounds MERCK & CO., INC. (US) 2008-01-29 — — US disclosed
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