SCHEMBL18648008

SCHEMBL18648008

CC(C)(O)C1C[C@@H](Nc2nc(Nc3ccnc(C(F)(F)F)c3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL17194061 1.00 IRAK4 (1.00) IRAK4
SCHEMBL17184133 1.00 IRAK4 (1.00) IRAK4
SCHEMBL26453244 0.90 IRAK4 (1.00) IRAK4
SCHEMBL18648079 0.90 IRAK4 (1.00) IRAK4
SCHEMBL16481662 0.90 IRAK4 (1.00) IRAK4
SCHEMBL17184148 0.89 IRAK4 (1.00) IRAK4
SCHEMBL17194062 0.89 IRAK4 (1.00) IRAK4
SCHEMBL17184180 0.88 IRAK4 (1.00) IRAK4
SCHEMBL16481549 0.88 IRAK4 (1.00) IRAK4
SCHEMBL17194055 0.87 IRAK4 (1.00) IRAK4

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
US-9598440-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2017-03-21 — — US disclosed
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