SCHEMBL7656323

SCHEMBL7656323

CCc1cccc2c(-c3nc4cc5nccnc5cc4n(OC(C)=O)c3=O)cn(CCCN)c12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 7/20 0.36
GSK3B P49841 2/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PTPN1 P18031 1/20 0.31
PRKCB P05771 1/20 0.31
PCSK9 Q8NBP7 1/20 0.30
PIM1 P11309 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
SCHEMBL8368712 0.90 CAMK2D (0.33) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL7659483 0.90 CAMK2D (0.39) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL8366859 0.90 CAMK2D (0.33) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL8368564 0.88 CAMK2D (0.36) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL7664679 0.88 CAMK2D (0.32) CAMK2D
SCHEMBL8516682 0.85 GSK3B (0.38) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL8365231 0.85 CNR2 (0.37) CAMK2DPCSK9
SCHEMBL7662107 0.85 CAMK2D (0.45) CAMK2DGSK3BUSP2ALDH1A1CYP1A2
SCHEMBL8516363 0.85 MAPT (0.36) ALDH1A1
SCHEMBL7656438 0.79 CAMK2D (0.42) CAMK2DGSK3BPIM1

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