SCHEMBL13493579

SCHEMBL13493579

Cc1cc2sc(-c3c(C)nc(NCC(F)(F)F)nc3N[C@@H]3C[C@H](CO)C[C@H]3O)nc2c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.45

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
SCHEMBL13493403 0.87 IRAK4 (0.46) IRAK4
SCHEMBL12038601 0.87 IRAK4 (0.59) IRAK4
SCHEMBL12058251 0.85 IRAK4 (0.40) IRAK4
SCHEMBL12057915 0.85 IRAK4 (0.46) IRAK4
SCHEMBL12057926 0.84 IRAK4 (0.60) IRAK4
SCHEMBL13493457 0.83 IRAK4 (0.50) IRAK4
SCHEMBL13493696 0.83 IRAK4 (0.45) IRAK4
SCHEMBL15982669 0.80 IRAK4 (0.59) IRAK4
SCHEMBL12453429 0.80 IRAK4 (0.59) IRAK4
SCHEMBL13493482 0.78 IRAK4 (0.59) 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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