SCHEMBL25047460

SCHEMBL25047460

CCc1cn([C@@H]2C[C@H](CNCCCNCCc3ccc(C(F)(F)F)cc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 17/20 0.48
▸ PRMT5 O14744 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ DOT1L Q8TEK3 1/20 0.38
▸ AHCY P23526 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
SCHEMBL31618109 1.00 METTL3 (0.48) METTL3PRMT5CA2DOT1LAHCY
SCHEMBL25048766 0.92 METTL3 (0.50) METTL3PRMT5CA2AHCY
SCHEMBL31618069 0.92 METTL3 (0.50) METTL3PRMT5CA2AHCY
SCHEMBL31618064 0.90 METTL3 (0.49) METTL3PRMT5CA2AHCY
SCHEMBL25048822 0.90 METTL3 (0.49) METTL3PRMT5CA2AHCY
SCHEMBL30941392 0.90 METTL3 (0.49) METTL3PRMT5CA2AHCY
SCHEMBL25047846 0.89 METTL3 (0.56) METTL3PRMT5DOT1L
SCHEMBL30941641 0.89 METTL3 (0.56) METTL3PRMT5DOT1L
SCHEMBL25047462 0.85 METTL3 (0.41) METTL3DOT1L
SCHEMBL25046820 0.84 CA2 (0.47) METTL3PRMT5CA2AHCY

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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