SCHEMBL626464

SCHEMBL626464

NC(=O)C1CCN(c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.47
MAP3K12 Q12852 4/20 0.44
THRB P10828 3/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL625621 0.90 MAP3K12 (0.46) MAPTMAP3K12PIK3CA
SCHEMBL626106 0.89 THRB (0.49) MAPTTHRBGAAPIK3CA
SCHEMBL627411 0.89 MAP3K12 (0.47) MAPTMAP3K12PIK3CA
SCHEMBL624412 0.86 MAP3K12 (0.45) MAPTMAP3K12PIK3CA
SCHEMBL627373 0.85 MAP3K12 (0.46) MAPTMAP3K12THRBPIK3CA
SCHEMBL626463 0.85 PIK3CA (0.53) LMNAL3MBTL1PIK3CA
SCHEMBL625228 0.85 MAP3K12 (0.46) MAP3K12PIK3CA
SCHEMBL625223 0.84 MAPT (0.49) MAPTTHRBLMNA
SCHEMBL624389 0.84 MAP3K12 (0.43) MAP3K12PIK3CA
SCHEMBL624968 0.83 MAP3K12 (0.43) MAPTMAP3K12THRBGAAPIK3CA

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-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed