SCHEMBL13493471

SCHEMBL13493471

COc1cc(OC)cc(Oc2nc(C)c(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)C3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.56

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
SCHEMBL12038712 0.88 IRAK4 (0.57) IRAK4
SCHEMBL12037032 0.87 IRAK4 (0.73) IRAK4
SCHEMBL12058162 0.86 IRAK4 (0.55) IRAK4
SCHEMBL12058268 0.86 IRAK4 (0.51) IRAK4
SCHEMBL12058171 0.85 IRAK4 (0.56) IRAK4
SCHEMBL12057772 0.83 IRAK4 (0.64) IRAK4
SCHEMBL12037031 0.81 IRAK4 (0.55) IRAK4
SCHEMBL15982439 0.81 IRAK4 (0.55) IRAK4
SCHEMBL15985992 0.81 IRAK4 (0.55) IRAK4
SCHEMBL12057948 0.81 IRAK4 (0.55) 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
Send feedback