SCHEMBL25048571

SCHEMBL25048571

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(-c3nccs3)c3c(N)ncnc32)[C@H](O)[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.46
▸ METTL3 Q86U44 10/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ABL2 P42684 2/20 0.34
▸ MTOR P42345 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ CA2 P00918 2/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.31
▸ AHCY P23526 1/20 0.31

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
SCHEMBL25046701 0.89 METTL3 (0.34) ADKMETTL3ABL1EGFRABL2
SCHEMBL25048552 0.85 METTL3 (0.37) METTL3ABL1EGFRABL2MTOR
SCHEMBL25047939 0.85 METTL3 (0.45) ADKMETTL3ABL1EGFRABL2
SCHEMBL25049071 0.85 CA2 (0.38) ADKMETTL3ABL1EGFRABL2
SCHEMBL25048257 0.84 LCK (0.39) ABL1EGFRABL2MTORRAB9A
SCHEMBL25048562 0.84 ADK (0.44) ADKABL1EGFRABL2IGF1R
SCHEMBL30941403 0.80 ADK (0.46) ADKMETTL3PRMT5CA2
SCHEMBL25047836 0.80 ADK (0.46) ADKMETTL3PRMT5CA2
SCHEMBL25049332 0.79 ADK (0.47) ADKMETTL3ABL1EGFRABL2
SCHEMBL30940961 0.79 ADK (0.47) ADKMETTL3ABL1EGFRABL2

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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