SCHEMBL25049074

SCHEMBL25049074

Cc1ccc(CCNCCCN(C[C@H]2C[C@@H](n3cc(-c4nccs4)c4c(N)ncnc43)[C@H](O)[C@@H]2O)c2cn[nH]c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 15/20 0.39
▸ PRMT5 O14744 3/20 0.39
▸ ADK P55263 2/20 0.39
▸ CA2 P00918 1/20 0.35
▸ SRC P12931 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL25049362 0.94 ADK (0.39) METTL3PRMT5ADKCA2SRC
SCHEMBL30941413 0.94 ADK (0.39) METTL3PRMT5ADKCA2SRC
SCHEMBL25049087 0.87 RIPK2 (0.36) ADKSRC
SCHEMBL25048896 0.85 — —
SCHEMBL30941031 0.85 — —
SCHEMBL30941403 0.78 ADK (0.46) METTL3PRMT5ADKCA2
SCHEMBL25047836 0.78 ADK (0.46) METTL3PRMT5ADKCA2
SCHEMBL30940961 0.77 ADK (0.47) METTL3PRMT5ADKCA2SRC
SCHEMBL25049332 0.77 ADK (0.47) METTL3PRMT5ADKCA2SRC
SCHEMBL31617956 0.76 ADK (0.32) METTL3PRMT5ADKWDR77

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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