SCHEMBL19946174

SCHEMBL19946174

CC(C)CC(C)([AsH2])COc1ccc2c(c1)COc1cnc(NC(=O)O)cc1-2

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.70

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
SCHEMBL19946168 0.93 AAK1 (0.81) AAK1
SCHEMBL19946083 0.90 AAK1 (0.87) AAK1
SCHEMBL19946184 0.85 AAK1 (0.66) AAK1
SCHEMBL19946098 0.85 AAK1 (0.88) AAK1
SCHEMBL19946033 0.84 AAK1 (0.84) AAK1
SCHEMBL19946121 0.83 AAK1 (0.70) AAK1
SCHEMBL19946067 0.82 AAK1 (1.00) AAK1
SCHEMBL20164837 0.82 AAK1 (1.00) AAK1
SCHEMBL20164863 0.82 AAK1 (1.00) AAK1
SCHEMBL20176338 0.82 AAK1 (1.00) AAK1

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
EP-3292124-A2 FUSED PYRIDINES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS Bristol-Myers Squibb Company (US) 2018-03-14 EP disclosed