SCHEMBL7659720

SCHEMBL7659720

CC(=O)On1c(=O)c(-c2cn(CCCN)c3cc4c(cc23)OCO4)nc2cc3ccccc3cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 7/20 0.36
TP53 P04637 2/20 0.34
GSK3B P49841 3/20 0.34
QPCT Q16769 1/20 0.34
MAPT P10636 2/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PIM1 P11309 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDR P35968 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32

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
SCHEMBL8516957 0.89 CAMK2D (0.37) CAMK2DTP53GSK3BQPCTKDM4E
SCHEMBL7654113 0.88 KDM4E (0.33) GSK3BQPCTKDM4EALDH1A1CYP1A2
SCHEMBL7853098 0.88 KDM4E (0.33) TP53GSK3BQPCTKDM4EALDH1A1
SCHEMBL7658933 0.87 PDE4B (0.46) CAMK2DGSK3BQPCTPDE4BPDE4D
SCHEMBL7663837 0.86 TP53 (0.44) TP53MAPTALDH1A1RXFP1
SCHEMBL8516993 0.85 CAMK2D (0.37) CAMK2DTP53GSK3BMAPTCNR2
SCHEMBL7664768 0.84 CAMK2D (0.46) CAMK2DGSK3BPIM1CNR2KDR
SCHEMBL7659483 0.84 CAMK2D (0.39) CAMK2DGSK3BPDE4BPDE4DPIM1
SCHEMBL7658242 0.83 MAOB (0.38) CAMK2DPDE4BPDE4DKDR
SCHEMBL7663691 0.82 ASH1L (0.38) CAMK2DGSK3BQPCTMAPTPIM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
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