SCHEMBL11952847

SCHEMBL11952847

C=C(Nc1cc(C(=O)OCc2ccccc2)ccc1C)c1cc2cnc(OC)nc2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.65
▸ DYRK1B Q9Y463 18/20 0.65

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
SCHEMBL10324029 0.92 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL11951526 0.91 DYRK1A (0.66) DYRK1ADYRK1B
SCHEMBL11950546 0.88 DYRK1A (0.82) DYRK1ADYRK1B
SCHEMBL11951896 0.84 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10323770 0.83 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL11951527 0.83 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL11951925 0.81 DYRK1A (0.76) DYRK1ADYRK1B
SCHEMBL11950555 0.80 DYRK1A (0.75) DYRK1ADYRK1B
SCHEMBL10446833 0.79 DYRK1A (0.83) DYRK1ADYRK1B
SCHEMBL10324364 0.79 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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