SCHEMBL25046630

SCHEMBL25046630

CNc1ncnc2c1ccn2[C@@H]1C[C@H](CNCC(F)(F)CNCCc2ccc3ccccc3c2)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 16/20 0.52
▸ WDR77 Q9BQA1 8/20 0.51
▸ METTL3 Q86U44 5/20 0.49

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
SCHEMBL25048746 0.89 PRMT5 (0.55) PRMT5WDR77METTL3
SCHEMBL25047700 0.87 PRMT5 (0.40) PRMT5WDR77METTL3
SCHEMBL25046631 0.86 PRMT5 (0.40) PRMT5WDR77METTL3
SCHEMBL30941466 0.85 PRMT5 (0.52) PRMT5WDR77METTL3
SCHEMBL25046815 0.85 PRMT5 (0.52) PRMT5WDR77METTL3
SCHEMBL31618061 0.83 PRMT5 (0.49) PRMT5WDR77METTL3
SCHEMBL25047778 0.83 PRMT5 (0.49) PRMT5WDR77METTL3
SCHEMBL25047777 0.81 PRMT5 (0.52) PRMT5WDR77METTL3
SCHEMBL31618081 0.81 PRMT5 (0.52) PRMT5WDR77METTL3
SCHEMBL25048328 0.80 PRMT5 (0.55) 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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