SCHEMBL19171577

SCHEMBL19171577

CCCC#Cc1cn(C2CC(O)C(COC)O2)c2ncnc(N)c12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.51
▸ ATG7 O95352 8/20 0.47
▸ PRMT5 O14744 3/20 0.46
▸ METTL3 Q86U44 3/20 0.46
▸ ADK P55263 3/20 0.46
▸ STING1 Q86WV6 1/20 0.42

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
SCHEMBL20643708 0.93 CA2 (0.52) CA2ATG7PRMT5METTL3ADK
SCHEMBL19625183 0.93 CA2 (0.52) CA2ATG7PRMT5METTL3ADK
SCHEMBL19519733 0.89 CA2 (0.51) CA2ATG7PRMT5METTL3ADK
SCHEMBL25469568 0.85 CA2 (0.49) CA2ATG7PRMT5METTL3ADK
SCHEMBL21585107 0.85 CA2 (0.49) CA2PRMT5METTL3ADK
SCHEMBL6061656 0.85 CA2 (0.49) CA2PRMT5METTL3ADK
SCHEMBL2611617 0.82 CA2 (0.52) CA2ATG7PRMT5METTL3ADK
SCHEMBL15355732 0.82 CA2 (0.43) CA2ATG7PRMT5METTL3ADK
SCHEMBL22386564 0.80 CA2 (0.53) CA2ATG7PRMT5METTL3ADK
SCHEMBL18214123 0.79 ADK (0.51) CA2PRMT5METTL3ADK

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-2867255-B1 METHOD FOR THE SELECTION AND PRODUCTION OF TAILOR-MADE, SELECTIVE AND MULTI-SPECIFIC THERAPEUTIC MOLECULES COMPRISING AT LEAST TWO DIFFERENT TARGETING ENTITIES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-07-19 — — EP disclosed
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