SCHEMBL11951532

SCHEMBL11951532

C=C(Nc1cc(C(=O)NC(CN)c2ccccc2)ccc1Cl)c1cc2cnc(SC)nc2[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.69
▸ DYRK1B Q9Y463 16/20 0.69

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
SCHEMBL10322412 0.94 DYRK1A (0.78) DYRK1ADYRK1B
SCHEMBL10446754 0.88 DYRK1A (0.82) DYRK1ADYRK1B
SCHEMBL11949588 0.88 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10323423 0.87 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL10322953 0.86 DYRK1A (0.71) DYRK1ADYRK1B
SCHEMBL10447125 0.84 DYRK1A (0.88) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10323656 0.83 DYRK1A (0.87) DYRK1ADYRK1B
SCHEMBL10322590 0.82 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10322592 0.82 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL11952041 0.82 DYRK1A (0.80) 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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