SCHEMBL25049371

SCHEMBL25049371

CN(CCCNCCc1ccc(F)cc1)C[C@H]1C[C@@H](n2cc(-c3ccn(Cc4ccccc4)n3)c3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ METTL3 Q86U44 8/20 0.34
▸ PRMT5 O14744 8/20 0.34
▸ WDR77 Q9BQA1 6/20 0.34
▸ DOT1L Q8TEK3 1/20 0.32

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
SCHEMBL25047887 0.91 METTL3 (0.39) METTL3PRMT5WDR77
Hydrochloric Acid SCHEMBL30940756 0.91 METTL3 (0.39) METTL3PRMT5WDR77
SCHEMBL25048478 0.89 METTL3 (0.35) CA2METTL3PRMT5DOT1L
SCHEMBL30940989 0.89 METTL3 (0.35) CA2METTL3PRMT5DOT1L
SCHEMBL25047883 0.88 PRMT5 (0.33) CA2PRMT5
SCHEMBL25048547 0.87 CA2 (0.39) CA2METTL3PRMT5WDR77
SCHEMBL25048580 0.85 PRMT5 (0.32) CA2METTL3PRMT5DOT1L
SCHEMBL31618030 0.84 CA2 (0.34) CA2METTL3PRMT5WDR77
SCHEMBL25048574 0.82 ADK (0.32) METTL3PRMT5
SCHEMBL25049002 0.82 METTL3 (0.31) METTL3PRMT5

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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