SCHEMBL25046701

SCHEMBL25046701

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(-c3ncns3)c3c(N)ncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 10/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ CA2 P00918 2/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ABL2 P42684 2/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ADK P55263 2/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ AHCY P23526 1/20 0.32

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
SCHEMBL25048571 0.89 ADK (0.46) METTL3PRMT5WDR77CA2ABL1
SCHEMBL25048552 0.85 METTL3 (0.37) METTL3PRMT5WDR77CA2ABL1
SCHEMBL25047939 0.85 METTL3 (0.45) METTL3PRMT5WDR77CA2ABL1
SCHEMBL25049071 0.84 CA2 (0.38) METTL3PRMT5CA2ABL1EGFR
SCHEMBL25048257 0.83 LCK (0.39) CA2ABL1EGFRABL2MTOR
SCHEMBL25047827 0.79 CA2 (0.45) METTL3PRMT5WDR77CA2ABL1
SCHEMBL30941278 0.79 CA2 (0.45) METTL3PRMT5WDR77CA2ABL1
SCHEMBL25048192 0.79 METTL3 (0.40) METTL3PRMT5WDR77CA2
SCHEMBL25048001 0.78 METTL3 (0.34) METTL3PRMT5WDR77CA2ABL1
SCHEMBL25048202 0.76 ADK (0.31) PRMT5WDR77ADK

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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