SCHEMBL25048894

SCHEMBL25048894

CC(C)(C)OC(=O)N(CCCN(C[C@H]1C[C@@H](n2cc(-c3ccn(Cc4ccccc4)n3)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]12)C(=O)OC(C)(C)C)CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 10/20 0.39
▸ PRMT5 O14744 4/20 0.39
▸ WDR77 Q9BQA1 4/20 0.39
▸ CA2 P00918 1/20 0.38
▸ SRC P12931 9/20 0.37
▸ EGFR P00533 1/20 0.35

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
SCHEMBL31617928 0.92 NT5E (0.32) METTL3PRMT5WDR77
SCHEMBL31618034 0.91 METTL3 (0.39) METTL3PRMT5WDR77CA2SRC
SCHEMBL31617787 0.90 METTL3 (0.38) METTL3PRMT5WDR77CA2SRC
SCHEMBL25048798 0.88 SRC (0.43) CA2SRCEGFR
SCHEMBL31617923 0.87 SRC (0.36) CA2SRCEGFR
SCHEMBL25048829 0.87 METTL3 (0.37) METTL3SRCEGFR
SCHEMBL31617904 0.87 SRC (0.38) METTL3PRMT5WDR77CA2SRC
SCHEMBL31617853 0.85 SRC (0.35) METTL3PRMT5WDR77CA2SRC
SCHEMBL31617891 0.85 SRC (0.37) CA2SRCEGFR
SCHEMBL31617982 0.84 SRC (0.36) CA2SRCEGFR

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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