SCHEMBL625548

SCHEMBL625548

FC(F)(F)c1cccc(-c2cnc3sc(NC4CC5(CCNCC5)C4)nn23)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 10/20 0.52
PIM1 P11309 8/20 0.47
KCNH2 Q12809 2/20 0.47
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
FLT3 P36888 1/20 0.45
DYRK1A Q13627 2/20 0.42
DYRK2 Q92630 2/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL625560 0.86 FYN (0.50) FYNPIM1KCNH2PIM3PIM2
SCHEMBL624978 0.84 FYN (0.51) FYNPIM1
SCHEMBL625540 0.83 FYN (0.68) FYN
SCHEMBL623828 0.83 FYN (0.46) FYNPIM1KCNH2PIM3PIM2
SCHEMBL1945221 0.82 FYN (0.76) FYNPIM1KCNH2PIM3PIM2
SCHEMBL626107 0.82 PIK3CA (0.48) FYN
SCHEMBL625549 0.82 F2RL3 (0.51) PIM1KCNH2PIM3PIM2FLT3
SCHEMBL24736880 0.81 PIM1 (0.70) FYNPIM1KCNH2PIM3PIM2
SCHEMBL29555944 0.81 PIM1 (0.70) FYNPIM1KCNH2PIM3PIM2
SCHEMBL2257233 0.81 FYN (0.76) FYNPIM1KCNH2PIM3PIM2

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