SCHEMBL25048501

SCHEMBL25048501

C=Cc1cn([C@@H]2C[C@H](CNCCCNCCc3ccccc3)[C@@H](O)[C@H]2O)c2ncnc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 6/20 0.37
▸ CA2 P00918 2/20 0.36
▸ METTL3 Q86U44 10/20 0.35
▸ ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL30941527 1.00 PRMT5 (0.37) PRMT5CA2METTL3ADORA3
SCHEMBL30941036 0.90 METTL3 (0.43) PRMT5CA2METTL3
SCHEMBL30940869 0.90 METTL3 (0.38) PRMT5CA2METTL3ADORA3
SCHEMBL25048824 0.90 METTL3 (0.43) PRMT5CA2METTL3
SCHEMBL25048513 0.90 METTL3 (0.38) PRMT5CA2METTL3ADORA3
SCHEMBL30941506 0.88 ADK (0.40) PRMT5CA2METTL3ADORA3
SCHEMBL25048505 0.86 CA2 (0.40) PRMT5CA2METTL3ADORA3
SCHEMBL25048521 0.85 PRMT5 (0.41) PRMT5CA2METTL3
SCHEMBL30941198 0.85 PRMT5 (0.41) PRMT5CA2METTL3
SCHEMBL25048823 0.82 METTL3 (0.43) PRMT5CA2METTL3

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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