SCHEMBL25047532

SCHEMBL25047532

C/C=C(\C)CCN(CCCN(C[C@H]1C[C@@H](n2cc(-c3ccn(C)n3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 14/20 0.42
▸ WDR77 Q9BQA1 14/20 0.42
▸ METTL3 Q86U44 11/20 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
SCHEMBL25046676 0.91 SRC (0.34) PRMT5WDR77METTL3
SCHEMBL25048523 0.87 ADK (0.39) —
SCHEMBL25047521 0.87 PRMT5 (0.36) PRMT5METTL3
SCHEMBL25048500 0.86 SRC (0.33) —
SCHEMBL25048851 0.85 SRC (0.32) —
SCHEMBL25046661 0.84 SRC (0.32) —
SCHEMBL25047533 0.83 PRMT5 (0.44) PRMT5WDR77METTL3
SCHEMBL25048894 0.83 METTL3 (0.39) PRMT5WDR77METTL3
SCHEMBL25047933 0.82 METTL3 (0.37) METTL3
SCHEMBL31618034 0.82 METTL3 (0.39) PRMT5WDR77METTL3

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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