SCHEMBL25048808

SCHEMBL25048808

Nc1nc(Cl)nc2c1ccn2[C@@H]1C[C@H](c2cccc(OC(F)(F)F)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.39
▸ PRMT5 O14744 11/20 0.39
▸ WDR77 Q9BQA1 9/20 0.39
▸ METTL3 Q86U44 3/20 0.36
▸ METTL14 Q9HCE5 1/20 0.36
▸ AHCY P23526 1/20 0.36

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
SCHEMBL25046776 0.89 NT5E (0.39) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL25049345 0.88 CHKA (0.41) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL31618004 0.82 METTL3 (0.43) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL25048785 0.82 METTL3 (0.43) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL25048835 0.81 PRMT5 (0.41) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL30941587 0.81 PRMT5 (0.39) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL25048466 0.81 PRMT5 (0.39) NT5EPRMT5WDR77METTL3METTL14
Hydrochloric Acid SCHEMBL30940867 0.81 PRMT5 (0.38) NT5EPRMT5WDR77METTL3METTL14
SCHEMBL25048806 0.80 CHKA (0.35) NT5E
SCHEMBL31617909 0.80 CHKA (0.35) NT5E

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
Send feedback