SCHEMBL14852182

SCHEMBL14852182

CN1CCC(Oc2ccc(-n3cnc4ccc(/C=C5\SC(=S)NC5=O)cc43)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.74
PIM3 Q86V86 1/20 0.74
PIM2 Q9P1W9 1/20 0.74
PDE4B Q07343 5/20 0.48
PDE3A Q14432 4/20 0.48
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
PTGS2 P35354 5/20 0.44
CSNK2A2 P19784 3/20 0.43
CLK1 P49759 3/20 0.43
CSNK2B P67870 3/20 0.43
CSNK2A1 P68400 3/20 0.43
DYRK1A Q13627 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CG P48736 2/20 0.43
HASPIN Q8TF76 2/20 0.43

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
SCHEMBL14852096 0.85 PIM1 (1.00) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852501 0.82 PIM1 (0.93) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852269 0.82 PIM1 (0.80) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852187 0.81 PIM1 (0.79) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852046 0.81 NEK2 (0.49) PIM1PIM3PIM2PIK3CDNEK2
SCHEMBL14852130 0.80 PIM1 (0.82) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852145 0.80 PIM1 (0.65) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852447 0.79 PIM1 (0.85) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852197 0.79 PIM1 (0.81) PIM1PIM3PIM2PDE4BPDE3A
SCHEMBL14852113 0.79 PIM1 (0.67) PIM1PIM3PIM2MGAMGAA

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-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed