SCHEMBL13665296

SCHEMBL13665296

CC(C)(C)OC(=O)N1CCCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
ABL1 P00519 2/20 0.41
EGFR P00533 2/20 0.41
HCK P08631 2/20 0.41
SRC P12931 2/20 0.41
KDR P35968 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
EPHB4 P54760 2/20 0.41
PRKDC P78527 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
NR1H2 P55055 1/20 0.39
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL8533679 0.87 PIK3CD (0.43) PIK3CDABL1EGFRHCKSRC
SCHEMBL2002026 0.79 BRD9 (0.42) PIK3CDABL1EGFRHCKSRC
SCHEMBL8533712 0.79 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL3834511 0.78 HTR6 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL13664698 0.75 MEN1 (0.42) NR1H2MEN1KMT2AESR2USP30
SCHEMBL14894490 0.75 LMNA (0.43) NR1H2ESR2MAPTALDH1A1LMNA
SCHEMBL948951 0.74 HTR6 (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL18291495 0.74 NR1H2 (0.42) NR1H2MEN1KMT2AESR2MAPT
SCHEMBL3839678 0.73 HPGD (0.50) PIK3CDABL1EGFRHCKSRC
SCHEMBL26979735 0.72 C5AR1 (0.45) NR1H2ESR2MAPTALDH1A1LMNA

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
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed