SCHEMBL14644481

SCHEMBL14644481

CC(O)[C@@H]1C[C@H](C)[C@H](n2cc(-c3cc[nH]n3)c3c(N)ncnc32)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 4/20 0.43
▸ PRMT5 O14744 14/20 0.41
▸ WDR77 Q9BQA1 13/20 0.41
▸ METTL3 Q86U44 12/20 0.40
▸ LCK P06239 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TEK Q02763 1/20 0.38

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
SCHEMBL15962789 0.75 PRMT5 (0.38) ADKPRMT5WDR77METTL3LCK
SCHEMBL16982320 0.74 ADK (0.70) ADK
SCHEMBL16968477 0.74 ADK (0.70) ADK
SCHEMBL18744586 0.74 ADK (0.70) ADK
SCHEMBL18744584 0.74 ADK (0.70) ADK
SCHEMBL14644673 0.73 PRMT5 (0.50) ADKPRMT5WDR77METTL3
SCHEMBL14644659 0.73 PRMT5 (0.50) ADKPRMT5WDR77METTL3
SCHEMBL13173244 0.72 AHCY (0.54) —
SCHEMBL13173231 0.72 AHCY (0.54) —
SCHEMBL14643246 0.71 KDR (0.56) LCKSRCKDRTEK

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-2013009735-A1 5'-SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-01-17 — — WO disclosed
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