SCHEMBL624017

SCHEMBL624017

CC(C)(C)OC(=O)NC1CCCN(c2nn3cc(-c4cccc(OC(F)(F)F)c4)nc3s2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 18/20 0.49
POLB P06746 2/20 0.46
BTK Q06187 1/20 0.45
THRB P10828 4/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL624016 0.86 PIM1 (0.49) BTK
SCHEMBL625035 0.83 THRB (0.48) MAPTTHRBGAA
SCHEMBL625777 0.83 MAPT (0.56) MAPTPOLBTHRBLMNATP53
SCHEMBL625501 0.82 PIM1 (0.43)
SCHEMBL624450 0.82 PIM1 (0.54) MAPTPOLBTHRBLMNATP53
SCHEMBL623999 0.80 MAPT (0.55) MAPTPOLBTHRBLMNATP53
SCHEMBL625742 0.80 THRB (0.43) MAPTPOLBTHRB
SCHEMBL628264 0.79 BTK (0.51) MAPTPOLBBTKTHRB
SCHEMBL624528 0.77 CYP3A4 (0.41) MAPTTHRB
SCHEMBL625512 0.77 THRB (0.44) MAPTTHRBGAA

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