SCHEMBL13686002

SCHEMBL13686002

CC1(C)C(=O)Nc2nnccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
PDK4 Q16654 3/20 0.41
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
CHEK2 O96017 1/20 0.39
LCK P06239 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1D P48730 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
BLK P51451 1/20 0.39
CDK5 Q00535 1/20 0.39
STK3 Q13188 1/20 0.39
AURKB Q96GD4 1/20 0.39
MARK3 P27448 1/20 0.38
PDE3B Q13370 6/20 0.34
PDE3A Q14432 6/20 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
SCHEMBL31404120 0.73 PDK2 (0.50) PDK2PDK4PDK1PDK3GSK3B
SCHEMBL2268820 0.73 PDK2 (0.50) PDK2PDK4PDK1PDK3GSK3B
SCHEMBL18850849 0.69 MARK3 (0.44) PDK2PDK4PDK1PDK3LCK
SCHEMBL31219658 0.68 MARK3 (0.43) PDK2PDK4PDK1PDK3LCK
SCHEMBL23097108 0.66 PDK2 (0.47) PDK2PDK4PDK1PDK3LCK
SCHEMBL22643957 0.66 MAP3K11 (0.38) PDK2PDK4MARK3PDE3BPDE3A
SCHEMBL18850912 0.66 MARK3 (0.41) PDK2PDK4PDK1PDK3LCK
SCHEMBL22643897 0.66 PDK2 (0.40) PDK2PDK4MARK3PDE3BPDE3A
SCHEMBL2453230 0.61 MARK3 (0.44) PDK2PDK4PDK1PDK3MARK3
SCHEMBL13748221 0.61 PLK4 (0.33) PLK4AURKACHEK2LCKCDK2

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
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed