SCHEMBL11952041

SCHEMBL11952041

C=C(Nc1cc(C(=O)N[C@H](CN)c2cccc(Cl)c2)ccc1Cl)c1cc2cnc(OC)nc2[nH]c1=O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.80
▸ DYRK1B Q9Y463 20/20 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
SCHEMBL10325057 0.94 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10325058 0.94 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10447043 0.94 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL11949588 0.94 DYRK1A (0.89) DYRK1ADYRK1B
SCHEMBL10446964 0.89 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10325014 0.89 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10322590 0.88 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10322592 0.88 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10446970 0.84 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL11949583 0.84 DYRK1A (0.87) 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
Send feedback