SCHEMBL25048900

SCHEMBL25048900

CS(=O)(=O)n1ccc(-c2cn([C@@H]3C[C@H](CNCCCNCCc4ccccc4)[C@@H](O)C3)c3nc(Cl)ncc23)n1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 2/20 0.31
▸ UBA3 Q8TBC4 2/20 0.31
▸ AXL P30530 2/20 0.31
▸ FLT3 P36888 2/20 0.31
▸ TYRO3 Q06418 2/20 0.31
▸ MERTK Q12866 2/20 0.31
▸ METTL3 Q86U44 1/20 0.30

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
SCHEMBL25048434 0.89 PRMT5 (0.34) METTL3
SCHEMBL25046826 0.80 AXL (0.33) AXLFLT3TYRO3MERTK
SCHEMBL30941616 0.78 PRMT5 (0.38) METTL3
SCHEMBL25048560 0.78 PRMT5 (0.38) METTL3
SCHEMBL25048778 0.77 AXL (0.34) AXLFLT3TYRO3MERTK
SCHEMBL30941581 0.72 METTL3 (0.48) METTL3
SCHEMBL25047829 0.72 METTL3 (0.48) METTL3
SCHEMBL25048161 0.72 METTL3 (0.46) METTL3
SCHEMBL25048866 0.71 PRMT5 (0.37) METTL3
SCHEMBL30941145 0.71 PRMT5 (0.37) METTL3

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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