SCHEMBL625776

SCHEMBL625776

O=C(O)C1CCCN(c2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 12/20 0.55
NOTUM Q6P988 1/20 0.52
DYRK1A Q13627 5/20 0.47
DGAT2 Q96PD7 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 2/20 0.45
GAK O14976 1/20 0.44
STK10 O94804 1/20 0.44
YES1 P07947 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
CSNK2A2 P19784 1/20 0.44
FLT3 P36888 1/20 0.44
ACVR1 Q04771 1/20 0.44
PKN1 Q16512 1/20 0.44
PIM3 Q86V86 1/20 0.44
HASPIN Q8TF76 1/20 0.44
SIK2 Q9H0K1 1/20 0.44

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
SCHEMBL623998 0.89 PIM1 (0.51) PIM1DYRK1ADGAT2KCNH2GAK
SCHEMBL624449 0.87 PIM1 (0.69) PIM1DYRK1AKCNH2PIM2
SCHEMBL625777 0.84 MAPT (0.56) NOTUMDGAT2
SCHEMBL623131 0.83 PIM1 (0.61) PIM1DYRK1AKCNH2GAKSTK10
SCHEMBL624016 0.82 PIM1 (0.49) PIM1KCNH2GAKSTK10YES1
SCHEMBL624481 0.79 PIM1 (0.56) PIM1DYRK1AKCNH2GAKSTK10
SCHEMBL623866 0.78 DYRK1A (0.48) PIM1DYRK1AKCNH2
SCHEMBL625222 0.77 PIK3CA (0.48) KCNH2
SCHEMBL625741 0.76 PIM1 (0.45) PIM1DYRK1A
SCHEMBL626627 0.76 PIM1 (0.45) PIM1DYRK1AKCNH2

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