SCHEMBL7657867

SCHEMBL7657867

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(N(Cc4ccccc4)Cc4ccccc4)cc23)nc2cc3nc(C)c(C)nc3cc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.34
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
CAMK2D Q13557 10/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
AGTR1 P30556 1/20 0.31
PIM1 P11309 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
KDR P35968 1/20 0.30
GSK3B P49841 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL7652454 0.93 CAMK2D (0.36) BDKRB2PDE4BPDE4DCAMK2DCRHBP
SCHEMBL7657341 0.92 CAMK2D (0.36) BDKRB2PDE4BPDE4DCAMK2DCRHBP
SCHEMBL7663724 0.89 BDKRB2 (0.33) BDKRB2PDE4BPDE4DCAMK2DCRHBP
SCHEMBL7666596 0.89 BDKRB2 (0.33) BDKRB2PDE4BPDE4DCAMK2DCRHBP
SCHEMBL8365278 0.89 CAMK2D (0.37) BDKRB2CAMK2DAGTR1JAK2JAK1
SCHEMBL7657833 0.87 MAOB (0.36) PDE4BPDE4DKDR
SCHEMBL7656438 0.86 CAMK2D (0.42) CAMK2DPIM1KDRGSK3B
SCHEMBL7841757 0.85 DYRK1A (0.38) PDE4BPDE4DCAMK2DGSK3B
SCHEMBL8365275 0.84 CAMK2D (0.37) BDKRB2PDE4BPDE4DCAMK2DPIM1
SCHEMBL7663787 0.84 PDE4B (0.42) PDE4BPDE4DGSK3B

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