SCHEMBL20686571

SCHEMBL20686571

Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3CCC(CO)C3)n2)cc(C)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.70

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
SCHEMBL20686615 0.93 IRAK4 (0.72) IRAK4
SCHEMBL24508635 0.91 IRAK4 (0.71) IRAK4
SCHEMBL20686565 0.87 IRAK4 (0.71) IRAK4
SCHEMBL20686558 0.85 IRAK4 (0.72) IRAK4
SCHEMBL20686576 0.83 IRAK4 (0.51) IRAK4
SCHEMBL20686575 0.83 IRAK4 (0.72) IRAK4
SCHEMBL20686559 0.83 IRAK4 (1.00) IRAK4
SCHEMBL20686562 0.83 IRAK4 (0.71) IRAK4
SCHEMBL16481683 0.83 IRAK4 (1.00) IRAK4
SCHEMBL18472783 0.83 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 disclosed
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