SCHEMBL25046667

SCHEMBL25046667

C/C=C(\C)CCNCCCNC[C@@H]1C[C@@H](O)[C@H](n2cc(C3CCOCC3)c3c(N)ncnc32)C1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 18/20 0.45
▸ PRMT5 O14744 4/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ RET P07949 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ABL2 P42684 1/20 0.34

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
SCHEMBL25046669 0.89 METTL3 (0.40) METTL3PRMT5WDR77RETABL1
SCHEMBL25048886 0.74 METTL3 (0.57) METTL3PRMT5
SCHEMBL30941705 0.74 METTL3 (0.57) METTL3PRMT5
SCHEMBL25048517 0.73 ABL1 (0.40) METTL3RETABL1EGFRABL2
SCHEMBL25047951 0.70 ABL1 (0.57) RETABL1EGFRABL2
SCHEMBL25048541 0.70 METTL3 (0.46) METTL3PRMT5WDR77
SCHEMBL25046807 0.69 METTL3 (0.52) METTL3PRMT5
SCHEMBL30940999 0.69 METTL3 (0.52) METTL3PRMT5
SCHEMBL25048562 0.69 ADK (0.44) RETABL1EGFRABL2
SCHEMBL25048551 0.69 ABL1 (0.43) RETABL1EGFRABL2

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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