SCHEMBL25047839

SCHEMBL25047839

CN(C(=O)OC(C)(C)C)c1ncnc2c1ccn2[C@H]1O[C@@H](CNCCCN(CCc2ccccc2)C(=O)OC(C)(C)C)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 6/20 0.34
▸ WDR5 P61964 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RBBP5 Q15291 2/20 0.33
▸ DPY30 Q9C005 2/20 0.33
▸ ASH2L Q9UBL3 2/20 0.33
▸ PRMT5 O14744 6/20 0.33
▸ WDR77 Q9BQA1 5/20 0.33
▸ PRMT7 Q9NVM4 1/20 0.31
▸ METTL3 Q86U44 1/20 0.31
▸ ADORA3 P0DMS8 2/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ SLC29A1 Q99808 1/20 0.31
▸ PI4KA P42356 1/20 0.30
▸ PI4K2B Q8TCG2 1/20 0.30
▸ PI4K2A Q9BTU6 1/20 0.30
▸ PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL25047819 0.89 WDR5 (0.33) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL23120522 0.81 CPB2 (0.31) PRMT5WDR77
SCHEMBL25046560 0.80 ADK (0.41) DOT1LPRMT5WDR77PI4KAPI4K2B
SCHEMBL23120354 0.80 NAPEPLD (0.32) PRMT5WDR77
SCHEMBL25048314 0.78 CPB2 (0.32) PRMT5WDR77
SCHEMBL25047411 0.77 HDAC3 (0.31) PRMT5WDR77
SCHEMBL25048673 0.75 PI4KA (0.38) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL23120248 0.74 NPEPPS (0.32) —
SCHEMBL18571700 0.74 PI4KA (0.47) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL25949203 0.74 PI4KA (0.47) PRMT5WDR77PI4KAPI4K2BPI4K2A

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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