SCHEMBL625019

SCHEMBL625019

Nc1ncc(-c2cn3nc(N4CCCC(N)C4)sc3n2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 12/20 0.45
MAPT P10636 8/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL625228 0.94 MAP3K12 (0.46) MAP3K12
SCHEMBL627411 0.89 MAP3K12 (0.47) MAP3K12MAPT
SCHEMBL625202 0.88 MAP3K12 (0.43) MAP3K12MAPTTHRBPOLBLMNA
SCHEMBL626392 0.88 MAP3K12 (0.44) MAP3K12MAPTTHRBPOLBLMNA
SCHEMBL625223 0.88 MAPT (0.49) MAPTTHRBPOLBLMNA
SCHEMBL625018 0.85 PIK3CA (0.51)
SCHEMBL624866 0.85 PIK3CA (0.46) MAP3K12MAPTTHRBPOLBLMNA
SCHEMBL625178 0.85 MAPT (0.54) MAPTTHRBPOLBLMNA
SCHEMBL624870 0.84 MAPT (0.42) MAP3K12MAPTTHRBPOLBLMNA
SCHEMBL625621 0.84 MAP3K12 (0.46) MAP3K12MAPT

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