SCHEMBL623131

SCHEMBL623131

NC1CCN(c2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.61
KCNH2 Q12809 6/20 0.48
DYRK1A Q13627 5/20 0.48
PIM2 Q9P1W9 2/20 0.45
GAK O14976 1/20 0.45
STK10 O94804 1/20 0.45
YES1 P07947 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
CSNK2A2 P19784 1/20 0.45
FLT3 P36888 1/20 0.45
ACVR1 Q04771 1/20 0.45
PKN1 Q16512 1/20 0.45
PIM3 Q86V86 1/20 0.45
HASPIN Q8TF76 1/20 0.45
SIK2 Q9H0K1 1/20 0.45
SLK Q9H2G2 1/20 0.45
BMP2K Q9NSY1 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
RPS6KA6 Q9UK32 1/20 0.45

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
SCHEMBL624449 0.94 PIM1 (0.69) PIM1KCNH2DYRK1APIM2
SCHEMBL624481 0.86 PIM1 (0.56) PIM1KCNH2DYRK1APIM2GAK
SCHEMBL625254 0.84 PIM3 (0.51) PIM1KCNH2DYRK1APIM3HASPIN
SCHEMBL625776 0.83 PIM1 (0.55) PIM1KCNH2DYRK1APIM2GAK
SCHEMBL623866 0.82 DYRK1A (0.48) PIM1KCNH2DYRK1A
SCHEMBL623998 0.79 PIM1 (0.51) PIM1KCNH2DYRK1APIM2GAK
SCHEMBL624739 0.79 PIM1 (0.47) PIM1KCNH2DYRK1AHASPIN
SCHEMBL623948 0.79 DYRK1A (0.47) PIM1KCNH2DYRK1APIM3HASPIN
SCHEMBL624016 0.78 PIM1 (0.49) PIM1KCNH2PIM2GAKSTK10
SCHEMBL623868 0.78 DYRK1A (0.44) PIM1KCNH2DYRK1A

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