SCHEMBL11296038

SCHEMBL11296038

CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(C(=O)NCCc5ccccc5N)ccc4Cl)c(=O)[nH]c3n2)CC1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.70
▸ DYRK1B Q9Y463 18/20 0.64

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
Hydrochloric Acid SCHEMBL11303167 0.99 DYRK1A (0.69) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11297652 0.95 DYRK1A (0.68) DYRK1ADYRK1B
SCHEMBL11301680 0.87 DYRK1A (0.66) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11296064 0.87 DYRK1A (0.66) DYRK1ADYRK1B
SCHEMBL10446582 0.84 DYRK1A (0.67) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11301200 0.83 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL10323587 0.83 DYRK1A (0.90) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11301277 0.83 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL10324490 0.83 DYRK1A (0.69) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL10323664 0.83 DYRK1A (0.89) 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 2 patents. 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 claimed
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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