SCHEMBL25047977

SCHEMBL25047977

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)NC[C@H]1CCCNC1)C[C@H]2n1cc(Br)c2c(N)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 15/20 0.43
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 3/20 0.38
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ ADK P55263 3/20 0.36
▸ RAPGEF3 O95398 1/20 0.35

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
SCHEMBL30940774 0.85 METTL3 (0.53) METTL3PRMT5WDR77ADK
SCHEMBL25047947 0.85 METTL3 (0.53) METTL3PRMT5WDR77ADK
SCHEMBL30940846 0.85 METTL3 (0.53) METTL3PRMT5WDR77ADK
SCHEMBL25048359 0.85 METTL3 (0.53) METTL3PRMT5WDR77ADK
SCHEMBL25047961 0.82 SRC (0.41) METTL3FPR3FPR2
SCHEMBL31618062 0.81 ADK (0.44) METTL3PRMT5ADKRAPGEF3
SCHEMBL31617944 0.76 ADK (0.44) METTL3PRMT5ADKRAPGEF3
SCHEMBL25047957 0.74 METTL3 (0.57) METTL3ADK
SCHEMBL25048440 0.74 METTL3 (0.57) METTL3ADK
SCHEMBL30940749 0.74 METTL3 (0.57) METTL3ADK

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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