SCHEMBL13493589

SCHEMBL13493589

C[C@@H]1[C@@H](CO)C[C@@H](Nc2nc(N)nc(Cl)c2-c2nc3cc(N)ccc3s2)[C@@H]1C

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.63

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
SCHEMBL12057765 0.92 IRAK4 (0.62) IRAK4
SCHEMBL12058358 0.87 IRAK4 (0.62) IRAK4
SCHEMBL12036765 0.81 IRAK4 (0.77) IRAK4
SCHEMBL12037699 0.80 IRAK4 (0.75) IRAK4
SCHEMBL12037713 0.79 IRAK4 (0.74) IRAK4
SCHEMBL13493424 0.79 IRAK4 (0.61) IRAK4
SCHEMBL12057905 0.79 IRAK4 (0.50) IRAK4
SCHEMBL12057938 0.78 IRAK4 (0.74) IRAK4
SCHEMBL12058363 0.78 IRAK4 (0.52) IRAK4
SCHEMBL12036734 0.77 IRAK4 (1.00) 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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