SCHEMBL13493732

SCHEMBL13493732

Cc1nc(N)nc(NC2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 1.00

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
SCHEMBL12037628 1.00 IRAK4 (1.00) IRAK4
SCHEMBL21105739 0.90 IRAK4 (1.00) IRAK4
SCHEMBL12039315 0.90 IRAK4 (0.81) IRAK4
SCHEMBL12039398 0.89 IRAK4 (0.80) IRAK4
SCHEMBL21106721 0.89 IRAK4 (1.00) IRAK4
SCHEMBL12037471 0.89 IRAK4 (0.80) IRAK4
SCHEMBL12036734 0.89 IRAK4 (1.00) IRAK4
SCHEMBL12037833 0.89 IRAK4 (0.83) IRAK4
SCHEMBL13493427 0.89 IRAK4 (0.83) IRAK4
SCHEMBL12058217 0.89 IRAK4 (0.80) 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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