SCHEMBL25046560

SCHEMBL25046560

CN(C(=O)OC(C)(C)C)c1ncnc2c1ccn2[C@@H]1O[C@H](CN)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.41
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ PRMT5 O14744 13/20 0.39
▸ WDR77 Q9BQA1 12/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ P2RX1 P51575 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ DOT1L Q8TEK3 1/20 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
SCHEMBL25949203 0.85 PI4KA (0.47) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18571696 0.85 PI4KA (0.47) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL18571700 0.85 PI4KA (0.47) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL25047763 0.84 PI4KA (0.40) ADKPI4KAPI4K2BPI4K2API4KB
SCHEMBL25047420 0.83 PRMT5 (0.34) PRMT5WDR77DOT1L
SCHEMBL29743109 0.83 PRMT5 (0.34) PRMT5WDR77DOT1L
SCHEMBL25047839 0.80 DOT1L (0.34) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL22002162 0.79 PRMT5 (0.37) PRMT5WDR77RXFP1
SCHEMBL22002064 0.78 PRMT5 (0.35) PI4KAPI4K2BPI4K2API4KBPRMT5
SCHEMBL20721509 0.78 PRMT5 (0.46) 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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