SCHEMBL13493538

SCHEMBL13493538

Nc1nc(Cl)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.67
▸ ILK Q13418 1/20 0.43

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
SCHEMBL12058086 0.89 IRAK4 (0.53) IRAK4ILK
SCHEMBL12058043 0.89 IRAK4 (0.67) IRAK4
SCHEMBL12057779 0.87 IRAK4 (0.51) IRAK4
SCHEMBL12058041 0.87 IRAK4 (0.51) IRAK4
SCHEMBL12058094 0.87 IRAK4 (0.55) IRAK4ILK
SCHEMBL12057762 0.86 IRAK4 (0.51) IRAK4ILK
SCHEMBL12057676 0.86 IRAK4 (0.50) IRAK4
SCHEMBL12058435 0.86 IRAK4 (0.50) IRAK4ILK
SCHEMBL12058034 0.85 IRAK4 (0.49) IRAK4
SCHEMBL13493446 0.85 IRAK4 (0.50) 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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