SCHEMBL624430

SCHEMBL624430

COc1cncc(-c2cnc3sc(NC4CCN(S(C)(=O)=O)CC4)nn23)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FYN P06241 18/20 0.72
HASPIN Q8TF76 1/20 0.48
PIK3CA P42336 1/20 0.42

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
SCHEMBL626171 0.88 FYN (0.54) FYNHASPIN
SCHEMBL625476 0.86 FYN (0.73) FYNPIK3CA
SCHEMBL1944166 0.85 FYN (0.81) FYNHASPINPIK3CA
SCHEMBL626186 0.84 FYN (0.51) FYNHASPIN
SCHEMBL626164 0.84 FYN (0.51) FYNHASPIN
SCHEMBL2253568 0.84 FYN (0.78) FYNHASPINPIK3CA
SCHEMBL625464 0.84 FYN (0.78) FYNHASPIN
SCHEMBL18613694 0.84 FYN (1.00) FYNHASPIN
SCHEMBL623927 0.83 FYN (0.72) FYNHASPIN
SCHEMBL624431 0.82 FYN (0.48) 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