SCHEMBL17986923

SCHEMBL17986923

CC(N[S+]([O-])C(C)(C)C)c1cc2cccn2c(=O)n1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL15558650 0.75 GSK3A (0.39) GPR139GSK3AGSK3BGAA
SCHEMBL17986919 0.73 PIK3CD (0.31) GSK3B
SCHEMBL17986819 0.68
SCHEMBL15559317 0.67 PIK3CD (0.46)
SCHEMBL15613325 0.66 PIK3CD (0.39)
SCHEMBL24003499 0.65 CHRM2 (0.39) GAA
SCHEMBL30238788 0.65 CHRM2 (0.39) GAA
SCHEMBL19421494 0.65 CHRM2 (0.39) GAA
SCHEMBL12710431 0.65 CHRM2 (0.39) GAA
SCHEMBL15558772 0.65 BAZ2B (0.39) GSK3AGSK3B

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-2016119707-A1 NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS HUTCHISON MEDIPHARMA LIMITED (CN) 2016-08-04 WO disclosed