SCHEMBL25049362

SCHEMBL25049362

Nc1ncnc2c1c(-c1nccs1)cn2[C@@H]1C[C@H](CN(CCCNCCc2ccc(F)cc2)c2cn[nH]c2)[C@@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.39
▸ METTL3 Q86U44 14/20 0.37
▸ PRMT5 O14744 2/20 0.36
▸ CA2 P00918 2/20 0.35
▸ SRC P12931 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
SCHEMBL30941413 1.00 ADK (0.39) ADKMETTL3PRMT5CA2SRC
SCHEMBL25049074 0.94 METTL3 (0.39) ADKMETTL3PRMT5CA2SRC
SCHEMBL30941031 0.91 — —
SCHEMBL25048896 0.91 — —
SCHEMBL25047836 0.85 ADK (0.46) ADKMETTL3PRMT5CA2
SCHEMBL30941403 0.85 ADK (0.46) ADKMETTL3PRMT5CA2
SCHEMBL25049087 0.81 RIPK2 (0.36) ADKSRC
SCHEMBL31617956 0.81 ADK (0.32) ADKMETTL3PRMT5
SCHEMBL25049332 0.79 ADK (0.47) ADKMETTL3PRMT5CA2SRC
SCHEMBL30940961 0.79 ADK (0.47) ADKMETTL3PRMT5CA2SRC

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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