SCHEMBL27620109

SCHEMBL27620109

CN1CCN(C=CCS(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.49
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
CDK5 Q00535 2/20 0.49
DYRK3 O43781 1/20 0.49
CDK7 P50613 1/20 0.49
CAMK2G Q13555 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PIM3 Q86V86 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
SGK2 Q9HBY8 1/20 0.49
STK17A Q9UEE5 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
CSF1R P07333 3/20 0.37
MLNR O43193 1/20 0.36
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL27620305 0.93 DYRK3 (0.42) GSK3BCDK1CDK2CDK5DYRK3
SCHEMBL27657010 0.90 DYRK3 (0.47) GSK3BCDK1CDK2CDK5DYRK3
SCHEMBL27620104 0.88 DYRK3 (0.45) GSK3BCDK1CDK2CDK5DYRK3
Hydrochloric Acid SCHEMBL27641516 0.85 GSK3B (0.38) GSK3BCDK1CDK2CDK5DYRK3
Hydrochloric Acid SCHEMBL27662038 0.83 GSK3B (0.38) GSK3BCDK1CDK2CDK5DYRK3
SCHEMBL3191993 0.83 CDK2 (0.53) GSK3BCDK1CDK2CDK5DYRK3
Hydrochloric Acid SCHEMBL4060387 0.82 CDK2 (0.52) GSK3BCDK1CDK2CDK5DYRK3
SCHEMBL4063350 0.80 DYRK3 (0.50) GSK3BCDK1CDK2CDK5DYRK3
Hydrochloric Acid SCHEMBL27641487 0.80 RORC (0.44) GSK3BCDK1CDK2FGFR1KDR
Hydrochloric Acid SCHEMBL27641600 0.80 GSK3B (0.39) GSK3BCDK1CDK2FGFR1PDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN claimed
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 CN claimed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN claimed
CN-100519550-C 2-oxoindole compounds having inhibitory activity on glycogen synthase kinase 3 receptor ASTRAZENECA AB SE (SE) 2009-07-29 CN disclosed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1886397-A 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (gsk-3) ASTRAZENECA AB (SE) 2006-12-27 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed