SCHEMBL20677520

SCHEMBL20677520

COC(=O)[C@@H]1C[C@@H](Nc2nc(Nc3cc(C)nc(C)c3)ncc2-c2nc3ccccc3s2)[C@@H](OC)[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
SCHEMBL17184168 1.00 IRAK4 (1.00) IRAK4
SCHEMBL16465612 1.00 IRAK4 (1.00) IRAK4
SCHEMBL17194071 0.94 IRAK4 (0.89) IRAK4
SCHEMBL20677601 0.94 IRAK4 (0.89) IRAK4
SCHEMBL17184185 0.87 IRAK4 (1.00) IRAK4
SCHEMBL18472784 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16482133 0.87 IRAK4 (1.00) IRAK4
SCHEMBL20677604 0.86 IRAK4 (0.76) IRAK4
SCHEMBL20677605 0.86 IRAK4 (0.76) IRAK4
SCHEMBL17184164 0.86 IRAK4 (0.76) 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
EP-2903617-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-01-30 — — EP disclosed
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