SCHEMBL13493522

SCHEMBL13493522

Cc1nc(NCc2cccnc2)nc(N[C@@H]2C[C@H](CO)[C@@H](C)[C@H]2C)c1-c1nc2ccccc2s1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.65

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
SCHEMBL12058236 0.92 IRAK4 (0.65) IRAK4
SCHEMBL12058395 0.91 IRAK4 (0.62) IRAK4
SCHEMBL12038221 0.91 IRAK4 (0.80) IRAK4
SCHEMBL13493455 0.88 IRAK4 (0.61) IRAK4
SCHEMBL12058500 0.88 IRAK4 (0.60) IRAK4
SCHEMBL12058396 0.88 IRAK4 (0.64) IRAK4
SCHEMBL12058504 0.87 IRAK4 (0.62) IRAK4
SCHEMBL12038214 0.86 IRAK4 (0.60) IRAK4
SCHEMBL12058125 0.85 IRAK4 (0.59) IRAK4
SCHEMBL12058124 0.85 IRAK4 (0.57) 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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