SCHEMBL3798741

SCHEMBL3798741

CCc1c(C)c(CO)nn1C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TKT P29401 2/20 0.37
IDO1 P14902 1/20 0.33

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
SCHEMBL16660440 0.84 GAA (0.59) GAATKT
SCHEMBL19635567 0.79 CSNK2A1 (0.33) GAAIDO1
SCHEMBL3797314 0.78 GAA (0.44) GAATKT
SCHEMBL26945695 0.77 GAA (0.38) GAAIDO1
SCHEMBL23398385 0.73 GAA (0.38) GAA
SCHEMBL2612158 0.72 GAA (0.40) GAA
SCHEMBL27140462 0.71 GAA (0.41) GAA
SCHEMBL3799251 0.71 GAA (0.33) GAA
SCHEMBL972895 0.71 CYP2C9 (0.39) GAA
SCHEMBL19615346 0.71 GAA (0.37) GAA

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-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed