SCHEMBL25048394

SCHEMBL25048394

CCc1cn([C@@H]2C[C@H](CNCCCNCCc3cccc(Oc4ccccc4)c3)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 11/20 0.47
▸ CA2 P00918 2/20 0.42
▸ PRMT5 O14744 4/20 0.41
▸ LCK P06239 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ TEK Q02763 2/20 0.40
▸ IGF1R P08069 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ABL2 P42684 1/20 0.39

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
SCHEMBL30940736 1.00 METTL3 (0.47) METTL3CA2PRMT5LCKSRC
SCHEMBL30941392 0.91 METTL3 (0.49) METTL3CA2PRMT5
SCHEMBL31618064 0.91 METTL3 (0.49) METTL3CA2PRMT5
SCHEMBL25048822 0.91 METTL3 (0.49) METTL3CA2PRMT5
SCHEMBL30941227 0.90 METTL3 (0.54) METTL3CA2PRMT5LCKSRC
SCHEMBL25048398 0.90 METTL3 (0.54) METTL3CA2PRMT5LCKSRC
SCHEMBL25048399 0.89 LCK (0.51) METTL3CA2LCKSRCKDR
SCHEMBL30940977 0.89 LCK (0.51) METTL3CA2LCKSRCKDR
SCHEMBL25048395 0.89 METTL3 (0.49) METTL3CA2PRMT5LCKSRC
SCHEMBL30940930 0.89 METTL3 (0.49) METTL3CA2PRMT5LCKSRC

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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