SCHEMBL25048552

SCHEMBL25048552

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(-c3ccncn3)c3c(N)ncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 12/20 0.37
▸ PRMT5 O14744 4/20 0.37
▸ WDR77 Q9BQA1 3/20 0.37
▸ ABL1 P00519 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ABL2 P42684 2/20 0.35
▸ CA2 P00918 2/20 0.34
▸ MTOR P42345 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ IGF1R P08069 1/20 0.33

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
SCHEMBL25047939 0.87 METTL3 (0.45) METTL3PRMT5WDR77ABL1EGFR
SCHEMBL25048571 0.85 ADK (0.46) METTL3PRMT5WDR77ABL1EGFR
SCHEMBL25046701 0.85 METTL3 (0.34) METTL3PRMT5WDR77ABL1EGFR
SCHEMBL25048551 0.84 ABL1 (0.43) ABL1EGFRABL2IGF1R
SCHEMBL25048192 0.82 METTL3 (0.40) METTL3PRMT5WDR77CA2
SCHEMBL25049071 0.81 CA2 (0.38) METTL3PRMT5ABL1EGFRABL2
SCHEMBL30940792 0.80 CA2 (0.45) METTL3PRMT5WDR77ABL1EGFR
SCHEMBL25046810 0.80 CA2 (0.45) METTL3PRMT5WDR77ABL1EGFR
SCHEMBL25048257 0.80 LCK (0.39) ABL1EGFRABL2CA2MTOR
SCHEMBL25048202 0.76 ADK (0.31) PRMT5WDR77

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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