SCHEMBL25046800

SCHEMBL25046800

CNc1ncnc2c1ccn2[C@@H]1O[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.54
▸ METTL3 Q86U44 2/20 0.52
▸ METTL14 Q9HCE5 1/20 0.51
▸ ADORA3 P0DMS8 7/20 0.49
▸ ADORA2A P29274 3/20 0.49
▸ ADORA1 P30542 3/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SLC29A1 Q99808 2/20 0.49
▸ DOT1L Q8TEK3 1/20 0.47
▸ PRMT5 O14744 3/20 0.45
▸ WDR77 Q9BQA1 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL25047818 0.85 ADK (0.50) ADKADORA3ADORA2AADORA1NFKB1
SCHEMBL25046802 0.82 PRMT5 (0.54) METTL3PRMT5WDR77
SCHEMBL25047776 0.80 PRMT5 (0.54) METTL3PRMT5WDR77
SCHEMBL31618052 0.79 PRMT5 (0.55) METTL3PRMT5WDR77
SCHEMBL25048328 0.79 PRMT5 (0.55) METTL3PRMT5WDR77
SCHEMBL25048728 0.79 PRMT5 (0.39) ADKMETTL3ADORA2AADORA1NFKB1
SCHEMBL23982517 0.78 ADK (0.73) ADKMETTL3METTL14SLC29A1
SCHEMBL20419313 0.78 ADK (0.73) ADKMETTL3METTL14SLC29A1
SCHEMBL17816362 0.78 ADK (0.73) ADKMETTL3METTL14SLC29A1
SCHEMBL20419319 0.78 ADK (0.73) ADKMETTL3METTL14SLC29A1

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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