SCHEMBL13493427

SCHEMBL13493427

CNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)n1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.83

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
SCHEMBL12037833 1.00 IRAK4 (0.83) IRAK4
SCHEMBL12037827 0.91 IRAK4 (0.87) IRAK4
SCHEMBL17184134 0.91 IRAK4 (1.00) IRAK4
SCHEMBL12036780 0.91 IRAK4 (0.77) IRAK4
SCHEMBL12037746 0.90 IRAK4 (0.88) IRAK4
SCHEMBL12037875 0.90 IRAK4 (0.79) IRAK4
SCHEMBL12038409 0.90 IRAK4 (0.89) IRAK4
SCHEMBL12037871 0.90 IRAK4 (0.79) IRAK4
SCHEMBL12039315 0.90 IRAK4 (0.81) IRAK4
SCHEMBL12038751 0.89 IRAK4 (0.79) 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