SCHEMBL27620104

SCHEMBL27620104

CCCC(C)N1CCN(C=CCS(=O)(=O)c2ccc(-c3c(O)[nH]c4ccc(C#N)cc34)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45
CDK5 Q00535 1/20 0.45
CAMK2G Q13555 1/20 0.45
MARK2 Q7KZI7 1/20 0.45
PIM3 Q86V86 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
STK17A Q9UEE5 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
CSF1R P07333 2/20 0.32
MLNR O43193 1/20 0.31
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL27620109 0.88 GSK3B (0.49) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL27657010 0.88 DYRK3 (0.47) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL27620105 0.84 DYRK3 (0.46) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL27620305 0.82 DYRK3 (0.42) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4061528 0.76 CDK2 (0.51) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4062688 0.75 CDK2 (0.50) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL27657011 0.74 DYRK3 (0.47) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL27620110 0.74 CDK1 (0.47) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL27641516 0.73 GSK3B (0.38) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4067810 0.73 CDK2 (0.52) DYRK3CDK1CDK2GSK3BCDK7

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
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN claimed
CN-1923812-A New compounds ASTRAZENECA AB (SE) 2007-03-07 CN disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed