SCHEMBL5014803

SCHEMBL5014803

COc1ccc(-c2ccnc3[nH]c(C4(C)C=C4)nc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 11/20 0.46
CDK1 P06493 11/20 0.46
CCNB1 P14635 11/20 0.46
CCNB3 Q8WWL7 11/20 0.46
GSK3A P49840 10/20 0.46
GSK3B P49841 10/20 0.46
CDK5 Q00535 7/20 0.46
CDK5R1 Q15078 7/20 0.46
RIPK1 Q13546 1/20 0.45
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40
PTK2B Q14289 1/20 0.40
CYP3A4 P08684 1/20 0.37
AURKA O14965 1/20 0.36
PIK3CA P42336 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
SCHEMBL4938633 0.87 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4941364 0.76 MAPK14 (0.52) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4941058 0.76 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4937417 0.73 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4940959 0.73 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL28083154 0.73 CLK4 (0.53) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4938196 0.73 CCNB2 (0.44) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL14545142 0.73 CCNB2 (0.45) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4934478 0.73 ALDH1A1 (0.50) GSK3AGSK3BMEN1GAAMAPT
SCHEMBL4939133 0.72 PTGS2 (0.49) CCNB2CDK1CCNB1CCNB3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP claimed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed