SCHEMBL13493412

SCHEMBL13493412

CCCCCNc1nc(C)c(-c2cc3cc(C)ncc3o2)c(NC2C[C@H](CO)[C@@H](O)[C@H]2O)n1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.49

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
SCHEMBL12038192 1.00 IRAK4 (0.49) IRAK4
SCHEMBL12038190 0.93 IRAK4 (0.43) IRAK4
SCHEMBL12037970 0.92 IRAK4 (0.48) IRAK4
SCHEMBL12038018 0.89 IRAK4 (0.46) IRAK4
SCHEMBL12038021 0.89 IRAK4 (0.45) IRAK4
SCHEMBL12057775 0.88 IRAK4 (0.36) IRAK4
SCHEMBL12038032 0.88 IRAK4 (0.51) IRAK4
SCHEMBL12038191 0.87 IRAK4 (0.50) IRAK4
SCHEMBL12038029 0.86 IRAK4 (0.42) IRAK4
SCHEMBL12037607 0.85 IRAK4 (0.45) 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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