SCHEMBL27790484

SCHEMBL27790484

CC(=O)Oc1coc(-c2ccnc(NC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.42
IRAK4 Q9NWZ3 3/20 0.41
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
SREBF2 Q12772 1/20 0.38
AAK1 Q2M2I8 8/20 0.37
CYP17A1 P05093 2/20 0.36
PSMB8 P28062 1/20 0.36
ATR Q13535 1/20 0.35
DAPK1 P53355 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MYLK2 Q9H1R3 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
BMP2K Q9NSY1 2/20 0.35
CIT O14578 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PKN2 Q16513 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
SCHEMBL13634380 0.84 TGFBR1 (0.48) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL29505431 0.83 IRAK4 (0.44) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL13162322 0.83 IRAK4 (0.44) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL31268286 0.82 IRAK4 (0.43) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL2080592 0.82 IRAK4 (0.43) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL27790485 0.80 TGFBR1 (0.43) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL13270402 0.80 IRAK4 (0.42) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL28239305 0.79 BACE1 (0.46) TGFBR1IRAK4GSK3BDYRK1APIK3C3
SCHEMBL29613007 0.78 TGFBR1 (0.42) TGFBR1IRAK4GSK3BPIK3C3SREBF2
SCHEMBL16698999 0.78 TGFBR1 (0.42) TGFBR1IRAK4GSK3BPIK3C3SREBF2

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
CN-101835764-B Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2012-09-19 CN disclosed
CN-101835764-A Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC 2010-09-15 CN disclosed