SCHEMBL11328645

SCHEMBL11328645

Nc1cc(C(=O)On2ccnn2)c(F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HTR4 Q13639 2/20 0.32
SLC9A1 P19634 1/20 0.32

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
SCHEMBL11298676 0.76 KDM4E (0.44) GAA
SCHEMBL31508307 0.71 GAA (0.61) GAASLC9A1
SCHEMBL3336996 0.71 GAA (0.61) GAASLC9A1
SCHEMBL10324009 0.70 SIRT2 (0.51) GAA
SCHEMBL9710977 0.68 ALDH1A1 (0.49) GAAHTR4
SCHEMBL10324220 0.67 KEAP1 (0.46) GAASLC9A1
Hydrochloric Acid SCHEMBL10322678 0.66 KEAP1 (0.44) GAASLC9A1
SCHEMBL3545080 0.62 GAA (0.45) GAAHTR4SLC9A1
SCHEMBL23948545 0.61 SLC9A1 (0.49) GAASLC9A1
SCHEMBL3544203 0.61 KEAP1 (0.46) GAASLC9A1

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-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed