SCHEMBL19946121

SCHEMBL19946121

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

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
SCHEMBL19946133 0.90 AAK1 (0.85) AAK1
SCHEMBL19946174 0.83 AAK1 (0.70) AAK1
SCHEMBL20176350 0.83 AAK1 (1.00) AAK1
SCHEMBL20981500 0.83 AAK1 (1.00) AAK1
SCHEMBL19946168 0.78 AAK1 (0.81) AAK1
SCHEMBL19946183 0.76 AAK1 (0.85) AAK1
SCHEMBL20181323 0.76 AAK1 (0.74) AAK1
SCHEMBL19946181 0.76 AAK1 (0.87) AAK1
SCHEMBL19946179 0.75 AAK1 (0.65) AAK1
SCHEMBL20981496 0.74 AAK1 (0.70) 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