SCHEMBL625646

SCHEMBL625646

Nc1ncc(-c2cn3nc(N4CCN5CCNCC5C4)sc3n2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 20/20 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
SCHEMBL625645 0.86 PIK3CA (0.47) MAP3K12
SCHEMBL624389 0.85 MAP3K12 (0.43) MAP3K12
SCHEMBL626161 0.83 MAP3K12 (0.46) MAP3K12
SCHEMBL625228 0.81 MAP3K12 (0.46) MAP3K12
SCHEMBL626246 0.80 MAP3K12 (0.40) MAP3K12
SCHEMBL625019 0.79 MAP3K12 (0.45) MAP3K12
SCHEMBL627411 0.79 MAP3K12 (0.47) MAP3K12
SCHEMBL624439 0.78 MAP3K12 (0.41) MAP3K12
SCHEMBL625621 0.78 MAP3K12 (0.46) MAP3K12
SCHEMBL625459 0.77 MAP3K12 (0.41) MAP3K12

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