SCHEMBL13634720

SCHEMBL13634720

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 12/20 0.47
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
GRM2 Q14416 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
F10 P00742 1/20 0.36
ABCB1 P08183 1/20 0.35
MAPT P10636 1/20 0.35
ABCG2 Q9UNQ0 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
SCHEMBL13638816 0.92 IRAK4 (0.46) IRAK4JAK2JAK1GRM2NAPEPLD
SCHEMBL13634699 0.89 IRAK4 (0.50) IRAK4JAK2JAK1GRM2ABCB1
SCHEMBL13634739 0.88 IRAK4 (0.48) IRAK4NAPEPLDMEN1ALDH1A1CYP1A2
SCHEMBL13634550 0.88 IRAK4 (0.46) IRAK4JAK2JAK1GRM2F10
SCHEMBL13634721 0.88 IRAK4 (0.49) IRAK4JAK2JAK1GRM2ALDH1A1
SCHEMBL13634718 0.86 IRAK4 (0.47) IRAK4KMT2A
SCHEMBL13634715 0.84 IRAK4 (0.44) IRAK4JAK2JAK1GRM2MEN1
SCHEMBL13634614 0.84 JAK2 (0.37) IRAK4JAK2JAK1GRM2NAPEPLD
SCHEMBL13634713 0.83 IRAK4 (0.51) IRAK4
SCHEMBL13634865 0.82 JAK2 (0.36) IRAK4JAK2JAK1GRM2NAPEPLD

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