SCHEMBL627384

SCHEMBL627384

CC(=O)O[C@H]1CC[C@H](Nc2nn3c(I)cnc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 15/20 0.48
HASPIN Q8TF76 1/20 0.44
NPY5R Q15761 1/20 0.37
PDE10A Q9Y233 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
LCK P06239 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL627106 0.80 FYN (0.44) FYNHASPIN
SCHEMBL627849 0.80 FYN (0.46) FYNHASPINMKNK1
SCHEMBL627017 0.80 FYN (0.47) FYNHASPIN
SCHEMBL627536 0.78 FYN (0.37) FYNHASPINNPY5RPDE10A
SCHEMBL627537 0.78 FYN (0.37) FYNHASPINNPY5RPDE10A
SCHEMBL628243 0.78 FYN (0.46) FYNHASPINMKNK1
SCHEMBL627385 0.77 NPY5R (0.39) FYNHASPINNPY5RPDE10A
SCHEMBL625117 0.75 FYN (0.42) FYNHASPINMKNK1
SCHEMBL2257059 0.67 MKNK1 (0.63) FYNHASPINMKNK1
SCHEMBL628252 0.65 MKNK1 (0.57) 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