SCHEMBL25047765

SCHEMBL25047765

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ JAK3 P52333 1/20 0.30
▸ FGFR3 P22607 1/20 0.30
▸ KDR P35968 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
SCHEMBL25047420 0.88 PRMT5 (0.34) PRMT5WDR77JAK3
SCHEMBL29743109 0.88 PRMT5 (0.34) PRMT5WDR77JAK3
SCHEMBL23135872 0.84 NPEPPS (0.33) PRMT5WDR77JAK3
SCHEMBL29743106 0.83 PRMT5 (0.31) PRMT5WDR77
SCHEMBL20049564 0.81 PDPK1 (0.34) PRMT5WDR77JAK3
SCHEMBL25048314 0.80 CPB2 (0.32) PRMT5WDR77
SCHEMBL25047411 0.79 HDAC3 (0.31) PRMT5WDR77
SCHEMBL23120206 0.77 PRMT5 (0.35) PRMT5WDR77
SCHEMBL23120522 0.77 CPB2 (0.31) PRMT5WDR77
SCHEMBL23120354 0.75 NAPEPLD (0.32) 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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