SCHEMBL20677478

SCHEMBL20677478

COc1cc(Nc2ncc(-c3ccc4cc(C)ccc4n3)c(N[C@@H]3C[C@@H](C(C)(C)O)[C@@H](O)[C@H]3O)n2)ccn1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.84

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
SCHEMBL17184222 0.92 IRAK4 (1.00) IRAK4
SCHEMBL16481580 0.92 IRAK4 (1.00) IRAK4
SCHEMBL17184157 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16481625 0.87 IRAK4 (1.00) IRAK4
SCHEMBL16466259 0.83 IRAK4 (1.00) IRAK4
SCHEMBL16481585 0.83 IRAK4 (1.00) IRAK4
SCHEMBL18648007 0.82 IRAK4 (1.00) IRAK4
SCHEMBL16464211 0.82 IRAK4 (1.00) IRAK4
SCHEMBL17184180 0.81 IRAK4 (1.00) IRAK4
SCHEMBL16481549 0.81 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
EP-2903617-B1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2019-01-30 — — EP claimed
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