SCHEMBL13634799

SCHEMBL13634799

CCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CCC(O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
GRM2 Q14416 1/20 0.36
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13634549 0.96 IRAK4 (0.39) IRAK4JAK2JAK1GRM2OPRK1
SCHEMBL13634718 0.93 IRAK4 (0.47) IRAK4L3MBTL1OPRK1KMT2A
SCHEMBL13638764 0.93 IRAK4 (0.40) IRAK4JAK2JAK1L3MBTL1GRM2
SCHEMBL13634737 0.92 IRAK4 (0.40) IRAK4JAK2JAK1GRM2OPRK1
SCHEMBL13634866 0.92 IRAK4 (0.39) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634524 0.91 IRAK4 (0.37) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13634556 0.90 IRAK4 (0.37) IRAK4JAK2JAK1GRM2OPRK1
SCHEMBL13634764 0.89 IRAK4 (0.37) IRAK4JAK2JAK1GRM2OPRK1
SCHEMBL13634836 0.89 IRAK4 (0.37) IRAK4JAK2JAK1GRM2OPRK1
SCHEMBL13270458 0.89 IRAK4 (0.38) IRAK4JAK2JAK1GRM2OPRK1

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