SCHEMBL7657341

SCHEMBL7657341

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)nc2cc3ccccc3cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 13/20 0.36
BDKRB2 P30411 2/20 0.35
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3B P49841 3/20 0.33
KDR P35968 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
QPCT Q16769 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
SCHEMBL7657867 0.92 BDKRB2 (0.34) CAMK2DBDKRB2PDE4BPDE4DPIM1
SCHEMBL7652454 0.92 CAMK2D (0.36) CAMK2DBDKRB2PDE4BPDE4DPIM1
SCHEMBL7666596 0.91 BDKRB2 (0.33) CAMK2DBDKRB2PDE4BPDE4DCRHBP
SCHEMBL7663724 0.91 BDKRB2 (0.33) CAMK2DBDKRB2PDE4BPDE4DCRHBP
SCHEMBL8365278 0.91 CAMK2D (0.37) CAMK2DBDKRB2GSK3BKDR
SCHEMBL7658242 0.87 MAOB (0.38) CAMK2DPDE4BPDE4DKDR
SCHEMBL8365275 0.86 CAMK2D (0.37) CAMK2DBDKRB2PDE4BPDE4DPIM1
SCHEMBL7658933 0.86 PDE4B (0.46) CAMK2DPDE4BPDE4DGSK3BKDR
Acetic Acid SCHEMBL7657331 0.83 CAMK2D (0.38) CAMK2DBDKRB2PIM1GSK3BKDR
SCHEMBL7664768 0.83 CAMK2D (0.46) CAMK2DPIM1GSK3BKDR

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