SCHEMBL624739

SCHEMBL624739

FC(F)(F)Oc1cccc(-c2cnc3sc(N4CCC5(CCNC5)CC4)nn23)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.47
DYRK1A Q13627 9/20 0.46
HASPIN Q8TF76 2/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL623948 0.95 DYRK1A (0.47) PIM1DYRK1AHASPINKCNH2
SCHEMBL623206 0.91 PIM1 (0.47) PIM1DYRK1AKCNH2
SCHEMBL625254 0.88 PIM3 (0.51) PIM1DYRK1AHASPINKCNH2
SCHEMBL626627 0.86 PIM1 (0.45) PIM1DYRK1AKCNH2
SCHEMBL624740 0.84 PIM1 (0.48) PIM1
SCHEMBL625248 0.82 PIM2 (0.51) PIM1DYRK1AHASPINKCNH2
SCHEMBL625511 0.81 PIM1 (0.45) PIM1DYRK1AHASPINKCNH2
SCHEMBL623866 0.80 DYRK1A (0.48) PIM1DYRK1AKCNH2
SCHEMBL623131 0.79 PIM1 (0.61) PIM1DYRK1AHASPINKCNH2
SCHEMBL623949 0.79 PIM1 (0.47) PIM1

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-2012020217-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed