SCHEMBL625601

SCHEMBL625601

COc1cncc(-c2nc3sc(NCC4CCN(S(C)(=O)=O)CC4)nn3c2C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.53
ACHE P22303 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
GSK3B P49841 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
BRAF P15056 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ACP1 P24666 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL625600 0.88 FYN (0.53) FYNACHEMKNK1GSK3BACP1
SCHEMBL625476 0.85 FYN (0.73) FYNMKNK1
SCHEMBL626615 0.85 FYN (0.57) FYNMKNK1
SCHEMBL624885 0.84 FYN (0.51) FYN
SCHEMBL625477 0.82 FYN (0.50) FYNACP1
SCHEMBL1945181 0.73 FYN (0.87) FYNMKNK1
SCHEMBL626614 0.73 FYN (0.57) FYNMKNK1
SCHEMBL624884 0.73 FYN (0.51) FYN
SCHEMBL624430 0.72 FYN (0.72) FYN
SCHEMBL624132 0.70 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