SCHEMBL13634764

SCHEMBL13634764

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GLS O94925 1/20 0.36
PIN1 Q13526 2/20 0.34
DRD4 P21917 1/20 0.34
GRM2 Q14416 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 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
SCHEMBL13634836 1.00 IRAK4 (0.37) IRAK4JAK2JAK1GLSPIN1
SCHEMBL13634912 0.95 IRAK4 (0.38) IRAK4JAK2JAK1DRD4GRM2
SCHEMBL13638950 0.95 IRAK4 (0.36) IRAK4JAK2JAK1PIN1GRM2
SCHEMBL13638889 0.95 IRAK4 (0.36) IRAK4JAK2JAK1PIN1GRM2
SCHEMBL13634556 0.94 IRAK4 (0.37) IRAK4JAK2JAK1GLSDRD4
SCHEMBL13634866 0.91 IRAK4 (0.39) IRAK4JAK2JAK1DRD4GRM2
SCHEMBL13634549 0.91 IRAK4 (0.39) IRAK4JAK2JAK1DRD4GRM2
SCHEMBL13634733 0.90 IRAK4 (0.36) IRAK4JAK2JAK1GRM2KMT2A
SCHEMBL13638778 0.90 IRAK4 (0.37) IRAK4JAK2JAK1GRM2PIM1
SCHEMBL13634799 0.89 IRAK4 (0.41) IRAK4JAK2JAK1GRM2KMT2A

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