SCHEMBL25046748

SCHEMBL25046748

Cn1ccc(-c2cn([C@H]3CC[C@@H](CNC(=O)OC(C)(C)C)C3)c3nc(Cl)nc(N)c23)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 11/20 0.41
▸ PRMT5 O14744 9/20 0.41
▸ WDR77 Q9BQA1 9/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ ACACB O00763 1/20 0.37
▸ ACACA Q13085 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA2B P29275 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ JAK1 P23458 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ JAK2 O60674 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
SCHEMBL25047720 0.84 ACACB (0.40) SUV39H2ACACBACACAADORA2AADORA2B
SCHEMBL25048408 0.82 ACACB (0.35) SUV39H2ACACBACACAADORA2AADORA2B
SCHEMBL25048354 0.82 METTL3 (0.38) METTL3PRMT5WDR77
SCHEMBL31617962 0.80 METTL3 (0.38) METTL3PRMT5WDR77
SCHEMBL25047651 0.80 ACACB (0.39) ACACBACACA
SCHEMBL25046723 0.72 ACACB (0.42) SUV39H2ACACBACACAADORA2AADORA2B
SCHEMBL25047967 0.71 PRMT5 (0.43) METTL3PRMT5WDR77
SCHEMBL31618005 0.71 ALDH1A1 (0.34) METTL3PRMT5WDR77ACACBACACA
SCHEMBL25049178 0.71 IGF1R (0.45) —
SCHEMBL25048420 0.71 METTL3 (0.38) METTL3PRMT5WDR77

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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