SCHEMBL13493773

SCHEMBL13493773

Cc1ccc(C(CI)Nc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.71

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
SCHEMBL12038693 0.91 IRAK4 (0.72) IRAK4
SCHEMBL12039426 0.88 IRAK4 (0.68) IRAK4
SCHEMBL12037871 0.88 IRAK4 (0.79) IRAK4
SCHEMBL12037911 0.86 IRAK4 (0.74) IRAK4
SCHEMBL12038169 0.86 IRAK4 (0.74) IRAK4
SCHEMBL12038466 0.86 IRAK4 (0.89) IRAK4
SCHEMBL12037988 0.85 IRAK4 (0.75) IRAK4
SCHEMBL12038271 0.85 IRAK4 (0.79) IRAK4
SCHEMBL12037833 0.85 IRAK4 (0.83) IRAK4
SCHEMBL13493427 0.85 IRAK4 (0.83) 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
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO disclosed
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