SCHEMBL13493372

SCHEMBL13493372

C[C@@H]1[C@@H](CO)C[C@@H](Nc2nc(N)nc(Cl)c2-c2cc3ccc(F)cc3o2)[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 16/20 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
SCHEMBL12058480 1.00 IRAK4 (0.45) IRAK4
SCHEMBL12037661 0.89 IRAK4 (0.56) IRAK4
SCHEMBL13493449 0.86 IRAK4 (0.40) IRAK4
SCHEMBL12037659 0.82 IRAK4 (0.56) IRAK4
SCHEMBL12058332 0.82 IRAK4 (0.45) IRAK4
SCHEMBL12058483 0.81 IRAK4 (0.40) IRAK4
SCHEMBL13493690 0.81 IRAK4 (0.40) IRAK4
SCHEMBL12058054 0.80 IRAK4 (0.37) IRAK4
SCHEMBL12037664 0.79 IRAK4 (0.55) IRAK4
SCHEMBL12058479 0.79 IRAK4 (0.39) 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