SCHEMBL11298554

SCHEMBL11298554

COc1ncc2cc(C(=O)Nc3cc(C(=O)NCCCc4cccc(N)c4)ccc3Cl)c(=O)[nH]c2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 20/20 0.79
▸ DYRK1B Q9Y463 18/20 0.79

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
SCHEMBL11295934 0.97 DYRK1A (0.79) DYRK1ADYRK1B
SCHEMBL11295696 0.92 DYRK1A (0.80) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11297738 0.90 DYRK1A (0.63) DYRK1ADYRK1B
SCHEMBL11297717 0.90 DYRK1A (0.79) DYRK1ADYRK1B
SCHEMBL11296377 0.88 DYRK1A (0.61) DYRK1ADYRK1B
SCHEMBL10446534 0.88 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL10446696 0.87 DYRK1A (0.87) DYRK1ADYRK1B
SCHEMBL10323939 0.87 DYRK1A (1.00) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11300224 0.87 DYRK1A (0.58) DYRK1ADYRK1B
SCHEMBL10324138 0.85 DYRK1A (0.85) 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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