SCHEMBL11302283

SCHEMBL11302283

O=C(NCCCc1cccc(O)c1)c1ccc(Cl)c(NC(=O)c2cc3cnc(N(C(=O)O)C4CCNCC4)nc3[nH]c2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.53
▸ DYRK1B Q9Y463 20/20 0.53

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
SCHEMBL11304014 0.91 DYRK1A (0.53) DYRK1ADYRK1B
SCHEMBL11303678 0.86 DYRK1A (0.50) DYRK1ADYRK1B
SCHEMBL11302279 0.82 DYRK1A (0.45) DYRK1ADYRK1B
SCHEMBL11295739 0.81 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL11295696 0.81 DYRK1A (0.80) DYRK1ADYRK1B
SCHEMBL11297796 0.80 DYRK1A (0.61) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11304335 0.80 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL11302362 0.78 DYRK1A (0.50) DYRK1ADYRK1B
SCHEMBL11297207 0.78 DYRK1A (0.59) DYRK1ADYRK1B
SCHEMBL11303674 0.78 DYRK1A (0.46) 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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