SCHEMBL25047414

SCHEMBL25047414

CNc1ncnc2c1ccn2[C@@H]1C[C@H](C(=O)O)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 17/20 0.46
▸ WDR77 Q9BQA1 17/20 0.46
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34

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
SCHEMBL19344247 0.87 PRMT5 (0.38) PRMT5WDR77ADORA2AADORA3
SCHEMBL19667323 0.86 PRMT5 (0.39) PRMT5WDR77
SCHEMBL30207846 0.86 PRMT5 (0.39) PRMT5WDR77
SCHEMBL19667572 0.85 NNMT (0.40) PRMT5WDR77
SCHEMBL25046559 0.84 PRMT5 (0.44) PRMT5WDR77
SCHEMBL23120565 0.84 PRMT5 (0.48) PRMT5WDR77
SCHEMBL30941233 0.84 PRMT5 (0.48) PRMT5WDR77
SCHEMBL23121274 0.82 PRMT5 (0.46) PRMT5WDR77
SCHEMBL18572830 0.82 PRMT5 (0.44) PRMT5WDR77
SCHEMBL30941081 0.79 PRMT5 (0.42) PRMT5WDR77

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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