SCHEMBL25046810

SCHEMBL25046810

Nc1ncnc2c1c(-c1ccncn1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.45
▸ METTL3 Q86U44 13/20 0.42
▸ PRMT5 O14744 8/20 0.42
▸ WDR77 Q9BQA1 3/20 0.42
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ABL2 P42684 1/20 0.40

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
SCHEMBL30940792 1.00 CA2 (0.45) CA2METTL3PRMT5WDR77ABL1
SCHEMBL25046809 0.91 CA2 (0.49) CA2METTL3PRMT5ABL1EGFR
SCHEMBL30941007 0.91 CA2 (0.49) CA2METTL3PRMT5ABL1EGFR
SCHEMBL30941348 0.89 CA2 (0.52) CA2METTL3ABL1EGFRABL2
SCHEMBL25048825 0.89 CA2 (0.52) CA2METTL3ABL1EGFRABL2
SCHEMBL25049330 0.87 METTL3 (0.57) METTL3PRMT5WDR77
SCHEMBL30941170 0.87 METTL3 (0.57) METTL3PRMT5WDR77
SCHEMBL25049329 0.86 METTL3 (0.45) CA2METTL3PRMT5WDR77ABL1
SCHEMBL30940958 0.86 METTL3 (0.45) CA2METTL3PRMT5WDR77ABL1
SCHEMBL25048881 0.86 CA2 (0.50) CA2METTL3PRMT5WDR77

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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