SCHEMBL13493370

SCHEMBL13493370

Cc1nc([S+](C)[O-])nc(N[C@H]2CC[C@@H](CO)C2)c1-c1nc2cnccc2s1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.43
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL12058198 0.87 IRAK4 (0.56) IRAK4DYRK1A
SCHEMBL12057726 0.85 IRAK4 (0.53) IRAK4DYRK1A
SCHEMBL12057991 0.84 IRAK4 (0.44) IRAK4DYRK1A
SCHEMBL12057855 0.83 IRAK4 (0.46) IRAK4DYRK1A
SCHEMBL12058448 0.82 IRAK4 (0.46) IRAK4DYRK1A
SCHEMBL12037106 0.82 IRAK4 (0.61) IRAK4
SCHEMBL12057992 0.82 IRAK4 (0.45) IRAK4DYRK1A
SCHEMBL12057851 0.82 IRAK4 (0.49) IRAK4
SCHEMBL12058457 0.82 IRAK4 (0.45) IRAK4DYRK1A
SCHEMBL12057740 0.81 IRAK4 (0.46) IRAK4DYRK1A

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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