SCHEMBL25048547

SCHEMBL25048547

Nc1nc(Cl)nc2c1c(-c1ccn(Cc3ccccc3)n1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ METTL3 Q86U44 12/20 0.36
▸ PRMT5 O14744 7/20 0.36
▸ WDR77 Q9BQA1 4/20 0.36
▸ NT5E P21589 1/20 0.31

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
SCHEMBL25048881 0.89 CA2 (0.50) CA2METTL3PRMT5WDR77
SCHEMBL30941359 0.89 CA2 (0.50) CA2METTL3PRMT5WDR77
SCHEMBL25049371 0.87 CA2 (0.34) CA2METTL3PRMT5WDR77
SCHEMBL30941448 0.86 CA2 (0.44) CA2METTL3PRMT5WDR77NT5E
SCHEMBL30941349 0.86 CA2 (0.44) CA2METTL3PRMT5WDR77NT5E
SCHEMBL25048971 0.84 CA2 (0.38) CA2METTL3PRMT5
SCHEMBL31618030 0.83 CA2 (0.34) CA2METTL3PRMT5WDR77
SCHEMBL25048805 0.83 CA2 (0.35) CA2METTL3PRMT5
Hydrochloric Acid SCHEMBL30940743 0.82 CA2 (0.34) CA2METTL3PRMT5
SCHEMBL25049330 0.80 METTL3 (0.57) METTL3PRMT5WDR77

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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