SCHEMBL13638768

SCHEMBL13638768

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.46
KMT2A Q03164 2/20 0.43
OPRK1 P41145 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL13638764 0.94 IRAK4 (0.40) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13634718 0.92 IRAK4 (0.47) IRAK4KMT2AOPRK1L3MBTL1
SCHEMBL13634520 0.92 IRAK4 (0.39) IRAK4KMT2AOPRK1
SCHEMBL13638773 0.92 IRAK4 (0.39) IRAK4KMT2AOPRK1
SCHEMBL13270458 0.91 IRAK4 (0.38) IRAK4KMT2AOPRK1
SCHEMBL13638831 0.91 IRAK4 (0.38) IRAK4KMT2AOPRK1
SCHEMBL13638993 0.91 IRAK4 (0.38) IRAK4KMT2AOPRK1
SCHEMBL2771848 0.90 IRAK4 (0.37) IRAK4KMT2AOPRK1
SCHEMBL13638778 0.90 IRAK4 (0.37) IRAK4KMT2AOPRK1
SCHEMBL13634813 0.90 KMT2A (0.41) IRAK4KMT2AL3MBTL1

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