SCHEMBL25047501

SCHEMBL25047501

CNc1ncnc2c1ccn2[C@@H]1C[C@H](CN2CCCCC23CCN(C(=O)OC(C)(C)C)C3)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 7/20 0.35
▸ WDR77 Q9BQA1 6/20 0.35
▸ JAK3 P52333 2/20 0.35
▸ NAMPT P43490 2/20 0.33
▸ GPR119 Q8TDV5 3/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL25047945 0.96 PRMT5 (0.36) PRMT5WDR77JAK3NAMPTGPR119
SCHEMBL25047894 0.96 PRMT5 (0.36) PRMT5WDR77JAK3NAMPTGPR119
SCHEMBL25048437 0.91 PRMT5 (0.34) PRMT5WDR77JAK3NAMPTGPR119
SCHEMBL25048841 0.86 PRMT5 (0.36) PRMT5WDR77GPR119
SCHEMBL25048807 0.86 NNMT (0.36) PRMT5WDR77GPR119
SCHEMBL19344271 0.85 PRMT5 (0.47) PRMT5WDR77GPR119
SCHEMBL19344065 0.85 PRMT5 (0.39) PRMT5WDR77NAMPTGPR119CNR2
SCHEMBL25047504 0.82 JAK3 (0.40) PRMT5WDR77JAK3NAMPTGPR119
SCHEMBL19344268 0.79 PRMT5 (0.45) PRMT5WDR77GPR119
SCHEMBL19344069 0.79 PRMT5 (0.36) PRMT5GPR119CNR2

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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