SCHEMBL25046679

SCHEMBL25046679

O[C@@H]1[C@H](O)[C@@H](C2CCNCC2)C[C@H]1n1cc2c3c(ncnc31)NCCC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ METTL3 Q86U44 2/20 0.31
▸ PRMT5 O14744 2/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30

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
SCHEMBL30940836 1.00 MTOR (0.35) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL25046681 0.79 FGR (0.33) —
SCHEMBL30941391 0.77 PRMT5 (0.40) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL30941327 0.77 PRMT5 (0.35) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL25046728 0.77 PRMT5 (0.40) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL25048243 0.77 PRMT5 (0.35) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL30941135 0.77 METTL3 (0.38) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL25048504 0.77 METTL3 (0.38) MTORRAB9AMETTL3PRMT5WDR77
SCHEMBL30941218 0.71 ADK (0.53) RAB9A
SCHEMBL25046789 0.71 ADK (0.55) MTORRAB9AMETTL3PRMT5WDR77

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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