SCHEMBL25047878

SCHEMBL25047878

CCc1cn([C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)c2ncnc(NC)c12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 15/20 0.61
▸ HIF1A Q16665 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ DOT1L Q8TEK3 2/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL25048779 0.90 ADK (0.75) ADKHIF1ATP53STAT6DOT1L
Trifluoroacetic Acid SCHEMBL30941138 0.81 ADK (0.55) ADKDOT1LPRMT1
SCHEMBL16330689 0.78 ADK (0.72) ADKHIF1ATP53STAT6DOT1L
SCHEMBL17816344 0.77 ADK (0.78) ADKHIF1ATP53STAT6DOT1L
SCHEMBL17800832 0.76 ADK (1.00) ADKHIF1ATP53STAT6
SCHEMBL31617931 0.76 ADK (1.00) ADKHIF1ATP53STAT6
SCHEMBL25047891 0.75 ADK (0.38) ADKADORA1
SCHEMBL17800864 0.74 ADK (0.72) ADKHIF1ATP53STAT6DOT1L
SCHEMBL16330688 0.74 HIF1A (0.76) ADKHIF1ATP53STAT6DOT1L
SCHEMBL23641765 0.73 ADK (0.47) ADK

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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