SCHEMBL14545142

SCHEMBL14545142

COc1ccc(-c2ccnc3[nH]c(-c4ccc(N)nc4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 6/20 0.45
CDK1 P06493 6/20 0.45
CCNB1 P14635 6/20 0.45
CCNB3 Q8WWL7 6/20 0.45
GSK3A P49840 5/20 0.45
GSK3B P49841 5/20 0.45
CDK5 Q00535 5/20 0.45
CDK5R1 Q15078 5/20 0.45
KMT2A Q03164 2/20 0.41
DYRK1A Q13627 1/20 0.41
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
MAPT P10636 2/20 0.40
AURKA O14965 1/20 0.39
RIPK1 Q13546 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
MAP4K4 O95819 1/20 0.38

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
SCHEMBL4940959 0.87 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1839873 0.85 PARP1 (0.41) GSK3BCDK5CDK5R1KMT2ADYRK1A
SCHEMBL4937417 0.84 CCNB2 (0.43) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4935159 0.84 MEN1 (0.41) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4941364 0.83 MAPK14 (0.52) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1839112 0.81 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1839021 0.80 MKNK2 (0.53) CDK1GSK3AGSK3BCDK5CDK2
SCHEMBL4934478 0.79 ALDH1A1 (0.50) GSK3AGSK3BKMT2AMAPTCHEK2
SCHEMBL4939133 0.78 PTGS2 (0.49) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4930977 0.78 TBK1 (0.57) GSK3AGSK3BKMT2AMAPTMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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