SCHEMBL13493568

SCHEMBL13493568

Cc1nc(NCC(F)(F)F)nc(NC2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.79

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
SCHEMBL12036763 1.00 IRAK4 (0.79) IRAK4
SCHEMBL12038751 1.00 IRAK4 (0.79) IRAK4
SCHEMBL12038494 1.00 IRAK4 (0.79) IRAK4
SCHEMBL12453169 1.00 IRAK4 (0.79) IRAK4
SCHEMBL12038729 0.94 IRAK4 (0.77) IRAK4
SCHEMBL12038732 0.94 IRAK4 (0.77) IRAK4
SCHEMBL15986094 0.94 IRAK4 (0.69) IRAK4
SCHEMBL12453545 0.94 IRAK4 (0.69) IRAK4
SCHEMBL12039279 0.92 IRAK4 (0.67) IRAK4
SCHEMBL12037895 0.92 IRAK4 (0.80) 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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