SCHEMBL21026449

SCHEMBL21026449

CC(C)C[C@@H](C)COc1ccc2c(c1)COc1cnc(C(F)F)cc1-2

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 20/20 0.68

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
SCHEMBL19946134 0.87 AAK1 (0.73) AAK1
SCHEMBL19946096 0.87 AAK1 (0.73) AAK1
SCHEMBL21019114 0.87 AAK1 (0.67) AAK1
SCHEMBL21019120 0.85 AAK1 (0.82) AAK1
SCHEMBL19946040 0.83 AAK1 (0.64) AAK1
SCHEMBL20164825 0.81 AAK1 (1.00) AAK1
SCHEMBL20164824 0.81 AAK1 (1.00) AAK1
SCHEMBL21019113 0.81 AAK1 (0.60) AAK1
SCHEMBL21019167 0.79 AAK1 (0.83) AAK1
SCHEMBL21019166 0.79 AAK1 (0.83) 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-B1 6H-ISOCHROMENO[3,4-C]PYRIDINES AND BENZO[C][1,7]NAPHTHYRIDIN-6-(5H)-ONES AS ADAPTOR ASSOCIATED KINASE 1 (AAK1) INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-05-22 EP disclosed