SCHEMBL626106

SCHEMBL626106

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.49
MAPT P10636 16/20 0.48
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 1/20 0.45
NEK2 P51955 1/20 0.45
PIK3CA P42336 1/20 0.44

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
SCHEMBL626464 0.89 MAPT (0.47) THRBMAPTGAAPIK3CA
SCHEMBL627373 0.88 MAP3K12 (0.46) THRBMAPTPIK3CA
SCHEMBL625621 0.86 MAP3K12 (0.46) MAPTPIK3CA
SCHEMBL625746 0.86 PIK3CA (0.54) NEK2PIK3CA
SCHEMBL627411 0.85 MAP3K12 (0.47) MAPTPIK3CA
SCHEMBL625132 0.84 CKS1B (0.42) THRBMAPTRXFP1GAAPIK3CA
SCHEMBL624968 0.84 MAP3K12 (0.43) THRBMAPTGAAPIK3CA
SCHEMBL624412 0.83 MAP3K12 (0.45) MAPTPIK3CA
SCHEMBL625188 0.82 CKS1B (0.44) THRBMAPTGAAPIK3CA
SCHEMBL625228 0.82 MAP3K12 (0.46) PIK3CA

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