SCHEMBL11949604

SCHEMBL11949604

COc1ncc2cc(C(=O)Nc3cc(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)c4ccccc4)ccc3Cl)c(=O)[nH]c2n1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.78
▸ DYRK1B Q9Y463 19/20 0.78

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
SCHEMBL10323802 1.00 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10323803 1.00 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10324039 0.96 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10324239 0.95 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10324088 0.95 DYRK1A (0.73) DYRK1ADYRK1B
SCHEMBL10324087 0.95 DYRK1A (0.73) DYRK1ADYRK1B
SCHEMBL10322404 0.94 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10323377 0.93 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL10448686 0.93 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL10323723 0.93 DYRK1A (0.77) DYRK1ADYRK1B

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
Send feedback