SCHEMBL25048548

SCHEMBL25048548

Nc1ncnc2c1c(-c1nccs1)cn2[C@@H]1C[C@H](c2cc(Cl)cc(Cl)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.53
▸ METTL3 Q86U44 14/20 0.43
▸ MTOR P42345 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AHCY P23526 1/20 0.41
▸ METTL14 Q9HCE5 2/20 0.40
▸ ABL1 P00519 2/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ RIPK2 O43353 1/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL31617975 1.00 ADK (0.53) ADKMETTL3MTORRAB9AAHCY
SCHEMBL25046626 0.94 ADK (0.49) ADKMETTL3MTORRAB9AAHCY
SCHEMBL31617936 0.87 AHCY (0.56) ADKMETTL3MTORRAB9AAHCY
SCHEMBL25047853 0.87 AHCY (0.56) ADKMETTL3MTORRAB9AAHCY
SCHEMBL25048732 0.79 ADK (0.42) ADKMETTL3RIPK2
SCHEMBL30941042 0.78 ADK (0.55) ADKMETTL3MTORRAB9AABL1
SCHEMBL25046789 0.78 ADK (0.55) ADKMETTL3MTORRAB9AABL1
SCHEMBL30941267 0.76 ADK (0.54) ADKMETTL3MTORRAB9AAHCY
SCHEMBL25049361 0.76 ADK (0.54) ADKMETTL3MTORRAB9AAHCY
SCHEMBL25046627 0.74 ADK (0.45) ADKABL1EGFRABL2RIPK2

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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