SCHEMBL625476

SCHEMBL625476

COc1cncc(-c2cnc3sc(NCC4CCN(S(C)(=O)=O)CC4)nn23)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 18/20 0.73
MKNK1 Q9BUB5 1/20 0.52
PIK3CA P42336 1/20 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
SCHEMBL1945181 0.89 FYN (0.87) FYNMKNK1PIK3CA
SCHEMBL624430 0.86 FYN (0.72) FYNPIK3CA
SCHEMBL625601 0.85 FYN (0.53) FYNMKNK1
SCHEMBL625600 0.85 FYN (0.53) FYNMKNK1
SCHEMBL624391 0.84 FYN (0.79) FYNMKNK1
SCHEMBL1947141 0.84 FYN (1.00) FYNMKNK1PIK3CA
SCHEMBL30521750 0.84 FYN (1.00) FYNMKNK1PIK3CA
SCHEMBL625477 0.83 FYN (0.50) FYNPIK3CA
SCHEMBL624836 0.81 PIM1 (0.59) FYN
SCHEMBL624132 0.78 MKNK1 (0.48) FYNMKNK1

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