SCHEMBL25046820

SCHEMBL25046820

CCc1cn([C@@H]2C[C@H](CNCCCNCCc3ccc(F)cc3F)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.47
▸ METTL3 Q86U44 16/20 0.47
▸ PRMT5 O14744 2/20 0.41
▸ WDR77 Q9BQA1 1/20 0.40
▸ AHCY P23526 1/20 0.38
▸ MTOR P42345 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL31618068 1.00 CA2 (0.47) CA2METTL3PRMT5WDR77AHCY
SCHEMBL25048766 0.91 METTL3 (0.50) CA2METTL3PRMT5AHCYMTOR
SCHEMBL31618069 0.91 METTL3 (0.50) CA2METTL3PRMT5AHCYMTOR
SCHEMBL30941259 0.90 METTL3 (0.51) CA2METTL3PRMT5
SCHEMBL25047780 0.90 METTL3 (0.51) CA2METTL3PRMT5
SCHEMBL25048822 0.86 METTL3 (0.49) CA2METTL3PRMT5WDR77AHCY
SCHEMBL31618064 0.86 METTL3 (0.49) CA2METTL3PRMT5WDR77AHCY
SCHEMBL30941392 0.86 METTL3 (0.49) CA2METTL3PRMT5WDR77AHCY
SCHEMBL25048776 0.85 EGFR (0.40) METTL3PRMT5
SCHEMBL25047460 0.84 METTL3 (0.48) CA2METTL3PRMT5AHCY

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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