SCHEMBL625478

SCHEMBL625478

COc1cncc(-c2cnc3sc(NC(C4CCNCC4)S(C)(=O)=O)nn23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FYN P06241 19/20 0.55
PIK3CA P42336 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
SCHEMBL625602 0.86 FYN (0.39) FYNPIK3CA
SCHEMBL624838 0.82 PIM1 (0.48) FYN
SCHEMBL625464 0.81 FYN (0.78) FYN
SCHEMBL624391 0.78 FYN (0.79) FYN
SCHEMBL624390 0.78 FYN (0.52) FYNPIK3CA
SCHEMBL624430 0.75 FYN (0.72) FYNPIK3CA
SCHEMBL625476 0.73 FYN (0.73) FYNPIK3CA
SCHEMBL1945181 0.73 FYN (0.87) FYNPIK3CA
SCHEMBL1944166 0.73 FYN (0.81) FYNPIK3CA
SCHEMBL2253568 0.71 FYN (0.78) FYNPIK3CA

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