SCHEMBL624947

SCHEMBL624947

CCOc1cncc(-c2cnc3sc(NCCCNC(=O)OC(C)(C)C)nn23)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 16/20 0.51
BRD4 O60885 2/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
PIK3CG P48736 1/20 0.39

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
SCHEMBL624948 0.83 BRD4 (0.43) BRD4STK17BSTK17APIK3CG
SCHEMBL626773 0.80 PIK3CA (0.51) FYNSTK17BSTK17A
SCHEMBL626602 0.79 STK17B (0.47) FYNBRD4STK17BSTK17A
SCHEMBL625399 0.74 PIK3CA (0.53) FYN
SCHEMBL626662 0.72 ADORA3 (0.40) FYNBRD4STK17BSTK17A
SCHEMBL15341063 0.70 STK17B (0.51) BRD4STK17BSTK17A
SCHEMBL1945371 0.68 FYN (1.00) FYN
SCHEMBL626603 0.67 STK17B (0.45) BRD4STK17BSTK17A
SCHEMBL1945181 0.66 FYN (0.87) FYN
SCHEMBL1944739 0.66 FYN (0.68) FYN

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