SCHEMBL25048010

SCHEMBL25048010

Cc1cn([C@@H]2C[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 9/20 0.45
▸ SLC29A1 Q99808 1/20 0.36
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ PRMT5 O14744 3/20 0.33
▸ METTL3 Q86U44 2/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ AHCY P23526 2/20 0.32
▸ ADORA2B P29275 1/20 0.32

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
SCHEMBL30941168 0.89 ADK (0.46) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL18297616 0.89 ADK (0.49) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL17549902 0.86 HTR2B (0.38) ADKSLC29A1PI4KAPI4K2BPI4K2A
SCHEMBL5319686 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL1799630 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL17889809 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL5318875 0.81 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL25047932 0.81 ADK (0.43) ADKPRMT5WDR77
SCHEMBL19684630 0.80 NNMT (0.40) PRMT5WDR77
SCHEMBL18572583 0.80 NNMT (0.40) 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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