SCHEMBL13634752

SCHEMBL13634752

CO[C@H]1CCN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)NCCF)cs2)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
KMT2A Q03164 3/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
GRM2 Q14416 1/20 0.34
PIM1 P11309 3/20 0.33
PIM3 Q86V86 3/20 0.33
PIM2 Q9P1W9 3/20 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
SCHEMBL3127604 0.96 IRAK4 (0.36) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634556 0.94 IRAK4 (0.37) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL2771848 0.94 IRAK4 (0.37) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13638945 0.93 IRAK4 (0.36) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634733 0.93 IRAK4 (0.36) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634554 0.93 IRAK4 (0.38) IRAK4JAK2JAK1KMT2ASCD
Fumaric Acid SCHEMBL2774883 0.93 IRAK4 (0.34) IRAK4JAK2JAK1KMT2ASCD
Fumaric Acid SCHEMBL2774886 0.93 IRAK4 (0.34) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13638892 0.92 IRAK4 (0.36) IRAK4JAK2JAK1KMT2ASCD
SCHEMBL13634756 0.91 IRAK4 (0.38) IRAK4JAK2JAK1KMT2ASCD

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 2 patents. 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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed