SCHEMBL7657124

SCHEMBL7657124

CC(=O)On1c(=O)c(-c2cn(CCCCN)c3ccccc23)nc2cc3c(cc21)CCCC3

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 10/20 0.39
PIM1 P11309 1/20 0.38
KDR P35968 1/20 0.37
GSK3B P49841 1/20 0.37
CNR2 P34972 4/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL7663936 0.98 CAMK2D (0.39) CAMK2DPIM1KDRGSK3BCNR2
SCHEMBL7664149 0.97 CAMK2D (0.41) CAMK2DPIM1KDRGSK3B
SCHEMBL7665495 0.96 CAMK2D (0.41) CAMK2DPIM1KDRGSK3B
SCHEMBL7664768 0.89 CAMK2D (0.46) CAMK2DPIM1KDRGSK3BCNR2
SCHEMBL7666393 0.88 CAMK2D (0.36) CAMK2DGSK3BCNR2
SCHEMBL7662560 0.87 PDE4B (0.40) GSK3B
SCHEMBL7663917 0.87 PDE4A (0.38) CNR2
SCHEMBL7655234 0.87 CAMK2D (0.40) CAMK2DPIM1KDRGSK3BCNR2
SCHEMBL7662107 0.87 CAMK2D (0.45) CAMK2DPIM1KDRGSK3BCNR2
SCHEMBL7653829 0.86 CNR2 (0.36) CAMK2DGSK3BCNR2

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