SCHEMBL23135872

SCHEMBL23135872

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPEPPS P55786 3/20 0.33
▸ P2RY2 P41231 1/20 0.30
▸ PRMT5 O14744 1/20 0.30
▸ WDR77 Q9BQA1 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ KLK7 P49862 2/20 0.30
▸ KLK5 Q9Y337 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
SCHEMBL25047765 0.84 PRMT5 (0.33) PRMT5WDR77JAK3
SCHEMBL25047420 0.82 PRMT5 (0.34) PRMT5WDR77JAK3
SCHEMBL29743109 0.82 PRMT5 (0.34) PRMT5WDR77JAK3
SCHEMBL23137092 0.81 KLK7 (0.32) NPEPPSKLK7KLK5
SCHEMBL23137075 0.79 NPEPPS (0.30) NPEPPS
SCHEMBL29743106 0.78 PRMT5 (0.31) PRMT5WDR77
SCHEMBL23120444 0.78 NPEPPS (0.30) NPEPPS
SCHEMBL25048314 0.78 CPB2 (0.32) PRMT5WDR77
SCHEMBL23120243 0.77 NPEPPS (0.32) NPEPPSKLK7KLK5
SCHEMBL23120248 0.77 NPEPPS (0.32) NPEPPSKLK7KLK5

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-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 — — WO disclosed
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