SCHEMBL13638945

SCHEMBL13638945

COCCCNC(=O)c1cc(CN2CCOCC2(C)C)ccc1NC(=O)c1csc(N2CC[C@H](OC)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SCD O00767 2/20 0.35
SCD5 Q86SK9 2/20 0.35
KMT2A Q03164 3/20 0.34
GRM2 Q14416 1/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2771848 0.96 IRAK4 (0.37) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13634733 0.95 IRAK4 (0.36) IRAK4JAK2JAK1SCDSCD5
SCHEMBL3127604 0.94 IRAK4 (0.36) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13634556 0.93 IRAK4 (0.37) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13634752 0.93 IRAK4 (0.37) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13638892 0.92 IRAK4 (0.36) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13634554 0.92 IRAK4 (0.38) IRAK4JAK2JAK1SCDSCD5
SCHEMBL13634520 0.91 IRAK4 (0.39) IRAK4JAK2JAK1KMT2AGRM2
Fumaric Acid SCHEMBL2774886 0.91 IRAK4 (0.34) IRAK4JAK2JAK1SCDSCD5
Fumaric Acid SCHEMBL2774883 0.91 IRAK4 (0.34) IRAK4JAK2JAK1SCDSCD5

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