SCHEMBL11951241

SCHEMBL11951241

C=C(Nc1cc(C(=O)NC(CNC(=O)OC(C)(C)C)c2ccccc2)ccc1Cl)c1cc2cnc(S(C)(=O)=O)nc2[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.56
▸ DYRK1B Q9Y463 17/20 0.56

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
SCHEMBL10323263 0.94 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL10324886 0.88 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL10323927 0.85 DYRK1A (0.73) DYRK1ADYRK1B
SCHEMBL11951534 0.85 DYRK1A (0.67) DYRK1ADYRK1B
SCHEMBL10324215 0.85 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10323723 0.84 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL10323722 0.84 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL10323377 0.84 DYRK1A (0.77) DYRK1ADYRK1B
SCHEMBL10323904 0.83 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL10323128 0.82 DYRK1A (0.62) 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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