SCHEMBL11952069

SCHEMBL11952069

C=C(Nc1cc(C(=O)NC(CCO)c2ccccc2)ccc1Cl)c1cc2cnc(N3CCC(N)CC3)nc2[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.80
▸ DYRK1B Q9Y463 17/20 0.80

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
SCHEMBL10447132 0.94 DYRK1A (0.90) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10323428 0.93 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10447103 0.89 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10447105 0.89 DYRK1A (0.90) DYRK1ADYRK1B
SCHEMBL10446748 0.89 DYRK1A (0.87) DYRK1ADYRK1B
SCHEMBL11952861 0.89 DYRK1A (0.63) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10323217 0.88 DYRK1A (0.99) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10322587 0.88 DYRK1A (0.86) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10322519 0.88 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10323055 0.86 DYRK1A (0.77) 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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