SCHEMBL21019148

SCHEMBL21019148

CCn1c(=O)c2cc(OCC(C)CC(C)NN)ccc2c2ccnc(C)c21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 12/20 0.61
▸ DYRK1A Q13627 8/20 0.45

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
SCHEMBL21019149 0.89 AAK1 (0.67) AAK1DYRK1A
SCHEMBL21019439 0.79 AAK1 (0.66) AAK1DYRK1A
SCHEMBL21019088 0.77 AAK1 (0.63) AAK1DYRK1A
SCHEMBL21018876 0.77 AAK1 (0.66) AAK1DYRK1A
SCHEMBL20164885 0.76 AAK1 (1.00) AAK1DYRK1A
SCHEMBL20164887 0.76 AAK1 (1.00) AAK1DYRK1A
SCHEMBL21019158 0.74 AAK1 (0.50) AAK1DYRK1A
SCHEMBL21019093 0.74 AAK1 (0.66) AAK1DYRK1A
SCHEMBL21019738 0.73 AAK1 (0.60) AAK1
SCHEMBL19946130 0.71 AAK1 (0.55) AAK1DYRK1A

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
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