SCHEMBL13638778

SCHEMBL13638778

CCOC1CN(c2nc(C(=O)Nc3ccc(CN4CCOCC4(C)C)cc3C(=O)NCCOC)cs2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.37
KMT2A Q03164 4/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
OPRK1 P41145 1/20 0.35
GRM2 Q14416 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
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
SCHEMBL13638950 0.95 IRAK4 (0.36) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13638889 0.95 IRAK4 (0.36) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13634912 0.95 IRAK4 (0.38) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13634520 0.94 IRAK4 (0.39) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL2771848 0.91 IRAK4 (0.37) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13638768 0.90 IRAK4 (0.46) IRAK4KMT2AOPRK1
SCHEMBL13634764 0.90 IRAK4 (0.37) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13634836 0.90 IRAK4 (0.37) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13270458 0.89 IRAK4 (0.38) IRAK4KMT2AJAK2JAK1OPRK1
SCHEMBL13638993 0.89 IRAK4 (0.38) IRAK4KMT2AJAK2JAK1OPRK1

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