SCHEMBL624837

SCHEMBL624837

CS(=O)(=O)N1CCC(CNc2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 18/20 0.47
PIM2 Q9P1W9 6/20 0.47
KCNH2 Q12809 4/20 0.47
FLT3 P36888 2/20 0.47
PIM3 Q86V86 2/20 0.47
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
ACVR1 Q04771 1/20 0.45
PKN1 Q16512 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
IRAK3 Q9Y616 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
SCHEMBL1945253 0.89 PIM1 (0.47) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL624879 0.85 PIM1 (0.50) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL624042 0.85 PIM1 (0.48) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL624533 0.85 PIM1 (0.53) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL1944168 0.85 PIM1 (0.55) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL625504 0.85 PIM1 (0.56) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL624836 0.83 PIM1 (0.59) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL625296 0.81 F2RL3 (0.38) PIM1PIM2KCNH2FLT3PIM3
SCHEMBL625477 0.80 FYN (0.50) F2RL3
SCHEMBL624816 0.78 PIM1 (0.51) PIM1PIM2KCNH2FLT3PIM3

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