SCHEMBL5550116

SCHEMBL5550116

C=Cc1cncc2sc(C(=O)O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 5/20 0.55
PIM1 P11309 5/20 0.55
GSK3A P49840 5/20 0.55
GSK3B P49841 5/20 0.55
PLK4 O00444 4/20 0.55
CHEK2 O96017 4/20 0.55
CDK1 P06493 4/20 0.55
CDK2 P24941 4/20 0.55
MAPK9 P45984 4/20 0.55
CSNK1D P48730 4/20 0.55
CSNK2A1 P68400 4/20 0.55
DYRK1A Q13627 4/20 0.55
AURKB Q96GD4 4/20 0.55
PLK3 Q9H4B4 4/20 0.55
PRKACA P17612 4/20 0.55
RPS6KA3 P51812 4/20 0.55
AURKA O14965 3/20 0.55
PIM2 Q9P1W9 3/20 0.55
SGK2 Q9HBY8 3/20 0.55
MAP3K8 P41279 5/20 0.50

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
SCHEMBL5553864 0.85 ICAM1 (0.53) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL7051862 0.80 PLK4 (0.60) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL7051866 0.80 PLK4 (0.60) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL660382 0.77 GSK3A (0.60) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL24721595 0.76 PLK4 (0.59) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL658705 0.76 ICAM1 (0.73) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL15910879 0.76 PIM1 (0.59) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL7619323 0.71 GSK3A (1.00) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL7056216 0.69 PIM1 (0.62) DAPK3PIM1GSK3AGSK3BPLK4
SCHEMBL7056218 0.69 PIM1 (0.62) DAPK3PIM1GSK3AGSK3BPLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed