SCHEMBL11296377

SCHEMBL11296377

COc1ccc2cc(C(=O)Nc3cc(C(=O)NCCCc4cccc(N)c4)ccc3Cl)c(=O)[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.61
▸ DYRK1B Q9Y463 18/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.45

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
SCHEMBL11299149 0.92 DYRK1A (0.51) DYRK1ADYRK1B
SCHEMBL11298554 0.88 DYRK1A (0.79) DYRK1ADYRK1B
SCHEMBL11295934 0.85 DYRK1A (0.79) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11297738 0.85 DYRK1A (0.63) DYRK1ADYRK1B
SCHEMBL10322194 0.83 DYRK1A (0.76) DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL11300224 0.83 DYRK1A (0.58) DYRK1ADYRK1B
SCHEMBL11295060 0.83 DYRK1A (0.53) DYRK1ADYRK1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL10322815 0.83 DYRK1A (0.77) DYRK1ADYRK1BSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL11297240 0.81 DYRK1A (0.58) DYRK1ADYRK1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL11295696 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO claimed
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
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