SCHEMBL13493680

SCHEMBL13493680

CCCCCNc1nc(N[C@@H]2C[C@H](CO)C[C@H]2C)c(-c2nc3ccccc3s2)c(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.54

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
SCHEMBL13493700 0.90 IRAK4 (0.66) IRAK4
SCHEMBL13493626 0.89 IRAK4 (0.55) IRAK4
SCHEMBL12036841 0.87 IRAK4 (0.73) IRAK4
SCHEMBL15985986 0.87 IRAK4 (0.73) IRAK4
SCHEMBL13493635 0.86 IRAK4 (0.56) IRAK4
SCHEMBL12058114 0.85 IRAK4 (0.59) IRAK4
SCHEMBL12057789 0.84 IRAK4 (0.74) IRAK4
SCHEMBL12058107 0.83 IRAK4 (0.49) IRAK4
SCHEMBL13493512 0.82 IRAK4 (0.63) IRAK4
SCHEMBL13493515 0.82 IRAK4 (0.51) 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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