SCHEMBL13493503

SCHEMBL13493503

Cc1cc2cc(-c3c(Cl)nc(N)nc3NC3C[C@H](CO)[C@@H](O)[C@H]3O)oc2cn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.53

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
SCHEMBL12037810 1.00 IRAK4 (0.53) IRAK4
SCHEMBL12037839 0.90 IRAK4 (0.51) IRAK4
SCHEMBL12037589 0.90 IRAK4 (0.53) IRAK4
SCHEMBL12057670 0.89 IRAK4 (0.51) IRAK4
SCHEMBL12037843 0.88 IRAK4 (0.50) IRAK4
SCHEMBL12037862 0.88 IRAK4 (0.40) IRAK4
SCHEMBL12036792 0.88 IRAK4 (0.49) IRAK4
SCHEMBL12036736 0.87 IRAK4 (0.56) IRAK4
SCHEMBL12036824 0.85 IRAK4 (0.56) IRAK4
SCHEMBL12037837 0.85 IRAK4 (0.54) 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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