SCHEMBL13638816

SCHEMBL13638816

COCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1coc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.46
KMT2A Q03164 3/20 0.42
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
GRM2 Q14416 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PIK3CA P42336 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13634720 0.92 IRAK4 (0.47) IRAK4KMT2AJAK2JAK1MEN1
SCHEMBL13634721 0.90 IRAK4 (0.49) IRAK4JAK2JAK1ALDH1A1GRM2
SCHEMBL13634699 0.88 IRAK4 (0.50) IRAK4JAK2JAK1GRM2MAPT
SCHEMBL13634550 0.87 IRAK4 (0.46) IRAK4JAK2JAK1GRM2KDM4E
SCHEMBL13638882 0.87 KMT2A (0.39) IRAK4KMT2AJAK2JAK1MEN1
SCHEMBL13638768 0.86 IRAK4 (0.46) IRAK4KMT2A
SCHEMBL13270594 0.85 KMT2A (0.37) IRAK4KMT2AJAK2JAK1MEN1
SCHEMBL13162062 0.84 IRAK4 (0.43) IRAK4KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL13634813 0.84 KMT2A (0.41) IRAK4KMT2AJAK2JAK1MEN1
SCHEMBL13638913 0.84 IRAK4 (0.49) 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