SCHEMBL11296372

SCHEMBL11296372

CCCN(C(=O)c1ccc(Cl)c(NC(=O)c2cc3ccc(OC)nc3[nH]c2=O)c1)c1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.49
▸ DYRK1B Q9Y463 19/20 0.49

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
SCHEMBL11299146 0.92 DYRK1A (0.46) DYRK1ADYRK1B
SCHEMBL11298549 0.88 DYRK1A (0.65) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11297737 0.85 DYRK1A (0.55) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11300201 0.84 DYRK1A (0.48) DYRK1ADYRK1B
SCHEMBL11295929 0.84 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL11295058 0.83 DYRK1A (0.48) DYRK1ADYRK1B
Trifluoroacetic Acid SCHEMBL11297238 0.81 DYRK1A (0.55) DYRK1ADYRK1B
SCHEMBL11295693 0.80 DYRK1A (0.65) DYRK1ADYRK1B
SCHEMBL11296377 0.79 DYRK1A (0.61) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11304775 0.78 DYRK1A (0.61) 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-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
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