SCHEMBL25046612

SCHEMBL25046612

CNc1ncnc2c1ccn2[C@@H]1C[C@H](C(=O)NCCCNCCc2ccc(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 18/20 0.40
▸ WDR77 Q9BQA1 14/20 0.40
▸ METTL3 Q86U44 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
SCHEMBL31617999 0.95 PRMT5 (0.40) PRMT5WDR77METTL3
SCHEMBL25049354 0.91 PRMT5 (0.36) PRMT5WDR77METTL3
SCHEMBL25046632 0.90 PRMT5 (0.46) PRMT5WDR77METTL3
SCHEMBL25047461 0.87 PRMT5 (0.37) PRMT5WDR77
SCHEMBL25049349 0.84 PRMT5 (0.35) PRMT5WDR77
SCHEMBL31618056 0.83 PRMT5 (0.43) PRMT5WDR77METTL3
SCHEMBL25046633 0.82 PIP4K2A (0.38) PRMT5WDR77
SCHEMBL23120370 0.81 EZH2 (0.42) PRMT5WDR77METTL3
SCHEMBL23137010 0.81 PRMT5 (0.39) PRMT5WDR77METTL3
SCHEMBL23120235 0.79 PRMT5 (0.34) PRMT5WDR77

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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