SCHEMBL13638897

SCHEMBL13638897

COOC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
KMT2A Q03164 2/20 0.42
OPRK1 P41145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL13634786 0.94 IRAK4 (0.49) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13638781 0.92 IRAK4 (0.39) IRAK4KMT2AOPRK1
SCHEMBL13634937 0.90 IRAK4 (0.50) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13638768 0.88 IRAK4 (0.46) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13634718 0.88 IRAK4 (0.47) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13270719 0.86 IRAK4 (0.41) IRAK4KMT2AOPRK1
SCHEMBL13634879 0.85 IRAK4 (0.46) IRAK4KMT2AOPRK1
SCHEMBL13270608 0.85 IRAK4 (0.46) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13634904 0.84 IRAK4 (0.39) IRAK4KMT2AOPRK1
SCHEMBL13638782 0.84 JAK2 (0.36) 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed