SCHEMBL25047401

SCHEMBL25047401

CNc1ncnc2c1c(C)cn2[C@@H]1O[C@H](CO)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 5/20 0.54
▸ PI4KA P42356 1/20 0.54
▸ PI4K2B Q8TCG2 1/20 0.54
▸ PI4K2A Q9BTU6 1/20 0.54
▸ PI4KB Q9UBF8 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PRMT5 O14744 2/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ HTR2B P41595 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HIF1A Q16665 2/20 0.39
▸ STAT6 P42226 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38

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
SCHEMBL25047424 0.90 ADK (0.45) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18572215 0.85 PI4KA (0.56) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL17816344 0.82 ADK (0.78) ADKALDH1A1TDP1HIF1ASTAT6
SCHEMBL18009847 0.79 PI4KA (0.56) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL90990 0.76 ADK (0.67) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18009754 0.76 PI4KA (0.55) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18571721 0.76 PI4KA (0.66) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18535300 0.76 PI4KA (0.55) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL16120836 0.76 PI4KA (0.55) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL67029 0.76 ADK (0.67) ADKPI4KAPI4K2BPI4K2API4KB

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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