SCHEMBL11304265

SCHEMBL11304265

CC(C)(C)N1CCN(c2ncc3cc(C(=O)Nc4cc(C(=O)NCc5cccc(Cl)c5)ccc4Cl)c(=O)[nH]c3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.69
▸ DYRK1B Q9Y463 18/20 0.69

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
SCHEMBL10446533 0.92 DYRK1A (0.71) DYRK1ADYRK1B
SCHEMBL10324491 0.91 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL10324510 0.90 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10447004 0.90 DYRK1A (0.70) DYRK1ADYRK1B
SCHEMBL10323580 0.90 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL10446722 0.89 DYRK1A (0.69) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10324021 0.89 DYRK1A (0.69) DYRK1ADYRK1B
SCHEMBL10446956 0.89 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10446980 0.88 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10323238 0.86 DYRK1A (0.64) 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
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