SCHEMBL25047864

SCHEMBL25047864

Nc1ncnc2c1c(I)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ METTL3 Q86U44 11/20 0.45
▸ CA2 P00918 1/20 0.44
▸ PRMT5 O14744 3/20 0.42
▸ ADK P55263 5/20 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
SCHEMBL30941639 1.00 MTOR (0.53) MTORRAB9AMETTL3CA2PRMT5
SCHEMBL30941053 0.90 METTL3 (0.56) METTL3CA2PRMT5
SCHEMBL30940751 0.90 METTL3 (0.54) METTL3CA2PRMT5ADK
SCHEMBL25046806 0.90 METTL3 (0.54) METTL3CA2PRMT5ADK
SCHEMBL25048821 0.90 METTL3 (0.56) METTL3CA2PRMT5
SCHEMBL30941506 0.90 ADK (0.40) MTORRAB9AMETTL3CA2PRMT5
SCHEMBL25048825 0.89 CA2 (0.52) METTL3CA2ADK
SCHEMBL30941348 0.89 CA2 (0.52) METTL3CA2ADK
SCHEMBL25048822 0.88 METTL3 (0.49) METTL3CA2PRMT5
SCHEMBL25046807 0.88 METTL3 (0.52) METTL3CA2PRMT5

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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