SCHEMBL13493558

SCHEMBL13493558

Cc1nc(NCC2CCCCC2)nc(N[C@H]2CC[C@@H](CO)C2)c1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.63

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
SCHEMBL12058018 0.96 IRAK4 (0.67) IRAK4
SCHEMBL12057688 0.91 IRAK4 (0.61) IRAK4
SCHEMBL12057815 0.89 IRAK4 (0.61) IRAK4
SCHEMBL12058462 0.88 IRAK4 (0.68) IRAK4
SCHEMBL12058437 0.88 IRAK4 (0.61) IRAK4
SCHEMBL21105746 0.88 IRAK4 (0.70) IRAK4
SCHEMBL12058046 0.87 IRAK4 (0.59) IRAK4
SCHEMBL12058094 0.86 IRAK4 (0.55) IRAK4
SCHEMBL12058265 0.86 IRAK4 (0.66) IRAK4
SCHEMBL12057697 0.86 IRAK4 (0.58) 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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