SCHEMBL13493716

SCHEMBL13493716

Cc1csc(CNc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](C)C3)n2)n1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.55

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
SCHEMBL12057790 0.87 IRAK4 (0.57) IRAK4
SCHEMBL12038309 0.86 IRAK4 (0.75) IRAK4
SCHEMBL13493453 0.86 IRAK4 (0.56) IRAK4
SCHEMBL12057807 0.84 IRAK4 (0.54) IRAK4
SCHEMBL13493613 0.84 IRAK4 (0.54) IRAK4
SCHEMBL12058488 0.83 IRAK4 (0.71) IRAK4
SCHEMBL12038306 0.82 IRAK4 (0.56) IRAK4
SCHEMBL12057785 0.82 IRAK4 (0.60) IRAK4
SCHEMBL12058276 0.81 IRAK4 (0.55) IRAK4
SCHEMBL13493545 0.81 IRAK4 (0.55) 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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