SCHEMBL11949583

SCHEMBL11949583

C=C(Nc1cc(C(=O)NCc2cccc(Cl)c2)ccc1Cl)c1cc2cnc(OC)nc2[nH]c1=O

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.87
▸ DYRK1B Q9Y463 18/20 0.87

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
SCHEMBL11951925 0.93 DYRK1A (0.76) DYRK1ADYRK1B
SCHEMBL10446906 0.93 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL29455189 0.93 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL11949575 0.93 DYRK1A (0.86) DYRK1ADYRK1B
SCHEMBL11950553 0.91 DYRK1A (0.72) DYRK1ADYRK1B
SCHEMBL11951896 0.88 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL11951103 0.88 DYRK1A (0.72) DYRK1ADYRK1B
SCHEMBL10446879 0.86 DYRK1A (0.87) DYRK1ADYRK1B
SCHEMBL10446845 0.86 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10446534 0.85 DYRK1A (1.00) 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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