SCHEMBL13493424

SCHEMBL13493424

CNc1nc(Cl)c(-c2nc3ccccc3s2)c(NC2C[C@H](CO)[C@@H](C)[C@H]2C)n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.61

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
SCHEMBL13493598 0.90 IRAK4 (0.56) IRAK4
SCHEMBL13493525 0.90 IRAK4 (0.58) IRAK4
SCHEMBL12036780 0.89 IRAK4 (0.77) IRAK4
SCHEMBL13493682 0.89 IRAK4 (0.63) IRAK4
SCHEMBL12057776 0.87 IRAK4 (0.60) IRAK4
SCHEMBL13493693 0.87 IRAK4 (0.55) IRAK4
SCHEMBL12058486 0.86 IRAK4 (0.58) IRAK4
SCHEMBL13493441 0.86 IRAK4 (0.59) IRAK4
SCHEMBL12058112 0.85 IRAK4 (0.58) IRAK4
SCHEMBL13493746 0.85 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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