SCHEMBL7841757

SCHEMBL7841757

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(Br)cc23)nc2cc3nc(C)c(C)nc3cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
CAMK2D Q13557 2/20 0.37
PDK1 Q15118 1/20 0.35
GSK3B P49841 8/20 0.34
QPCT Q16769 7/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
CASP3 P42574 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
SCHEMBL7663787 0.91 PDE4B (0.42) PDK1GSK3BQPCTPDE4BPDE4D
SCHEMBL7656438 0.90 CAMK2D (0.42) CAMK2DGSK3B
SCHEMBL7655234 0.87 CAMK2D (0.40) CAMK2DGSK3BCNR2
SCHEMBL7666393 0.87 CAMK2D (0.36) DYRK1ACAMK2DPDK1GSK3BQPCT
SCHEMBL7653829 0.87 CNR2 (0.36) DYRK1ACAMK2DPDK1GSK3BQPCT
SCHEMBL7657833 0.86 MAOB (0.36) MEN1KMT2APDE4BPDE4D
SCHEMBL7657867 0.85 BDKRB2 (0.34) CAMK2DGSK3BPDE4BPDE4D
SCHEMBL8365260 0.85 CAMK2D (0.41) CAMK2DGSK3BQPCTMEN1MAPK1
SCHEMBL7851518 0.81 PPARG (0.36) DYRK1ACNR2MEN1KMT2ALMNA
SCHEMBL8515897 0.81 CAMK2D (0.44) CAMK2DGSK3BQPCT

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
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed