SCHEMBL13493446

SCHEMBL13493446

OC[C@@H]1CC[C@H](Nc2nc(N3CCC3)nc(Cl)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.50

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
SCHEMBL12057673 0.92 IRAK4 (0.53) IRAK4
SCHEMBL13493538 0.85 IRAK4 (0.67) IRAK4
SCHEMBL12058041 0.84 IRAK4 (0.51) IRAK4
SCHEMBL12058094 0.84 IRAK4 (0.55) IRAK4
SCHEMBL12057762 0.83 IRAK4 (0.51) IRAK4
SCHEMBL12037850 0.82 IRAK4 (0.73) IRAK4
SCHEMBL12058034 0.82 IRAK4 (0.49) IRAK4
SCHEMBL12058093 0.81 IRAK4 (0.53) IRAK4
SCHEMBL12057731 0.81 IRAK4 (0.48) IRAK4
SCHEMBL12057824 0.80 IRAK4 (0.51) 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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