SCHEMBL625600

SCHEMBL625600

COc1cncc(-c2c(C)nc3sc(NCC4CCN(S(C)(=O)=O)CC4)nn23)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FYN P06241 12/20 0.53
MKNK1 Q9BUB5 1/20 0.37
ACP1 P24666 2/20 0.36
PI4KB Q9UBF8 2/20 0.36
ACHE P22303 1/20 0.36
GSK3B P49841 2/20 0.36
PI4KA P42356 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
SCHEMBL625601 0.88 FYN (0.53) FYNMKNK1ACP1ACHEGSK3B
SCHEMBL625476 0.85 FYN (0.73) FYNMKNK1
SCHEMBL626614 0.85 FYN (0.57) FYNMKNK1
SCHEMBL624884 0.84 FYN (0.51) FYN
SCHEMBL625477 0.82 FYN (0.50) FYNACP1
SCHEMBL625602 0.74 FYN (0.39) FYNGSK3BPI4KA
SCHEMBL1945181 0.73 FYN (0.87) FYNMKNK1
SCHEMBL626615 0.73 FYN (0.57) FYNMKNK1
SCHEMBL624885 0.73 FYN (0.51) FYN
SCHEMBL624430 0.72 FYN (0.72) 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