SCHEMBL25048398

SCHEMBL25048398

Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](CNCCCNCCc2cccc(Oc3ccccc3)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 17/20 0.54
▸ PRMT5 O14744 2/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41

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
SCHEMBL30941227 1.00 METTL3 (0.54) METTL3PRMT5CA2LCKSRC
SCHEMBL25048821 0.91 METTL3 (0.56) METTL3PRMT5CA2
SCHEMBL30941053 0.91 METTL3 (0.56) METTL3PRMT5CA2
SCHEMBL30940977 0.91 LCK (0.51) METTL3CA2LCKSRCKDR
SCHEMBL25048399 0.91 LCK (0.51) METTL3CA2LCKSRCKDR
SCHEMBL25048397 0.90 METTL3 (0.43) METTL3PRMT5
SCHEMBL30940930 0.90 METTL3 (0.49) METTL3PRMT5CA2LCKSRC
SCHEMBL25048394 0.90 METTL3 (0.47) METTL3PRMT5CA2LCKSRC
SCHEMBL25048395 0.90 METTL3 (0.49) METTL3PRMT5CA2LCKSRC
SCHEMBL30940736 0.90 METTL3 (0.47) METTL3PRMT5CA2LCKSRC

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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