SCHEMBL28868388

SCHEMBL28868388

CC(=O)Oc1ccc2c3ccnc(C)c3n(CCCc3ccccc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.61
▸ HASPIN Q8TF76 3/20 0.55

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
SCHEMBL2217478 0.87 DYRK1A (0.74) DYRK1AHASPIN
SCHEMBL27899826 0.85 DYRK1A (0.68) DYRK1AHASPIN
SCHEMBL23150312 0.84 HASPIN (0.73) DYRK1AHASPIN
SCHEMBL27899833 0.82 DYRK1A (0.55) DYRK1AHASPIN
SCHEMBL23150325 0.80 DYRK1A (0.73) DYRK1AHASPIN
SCHEMBL27891784 0.80 MCL1 (0.57) DYRK1AHASPIN
SCHEMBL27939758 0.78 DYRK1A (0.77) DYRK1AHASPIN
SCHEMBL17502380 0.76 DYRK1A (0.67) DYRK1AHASPIN
Hydrochloric Acid SCHEMBL23150417 0.76 DYRK1A (1.00) DYRK1AHASPIN
SCHEMBL12071332 0.75 DYRK1A (0.80) DYRK1AHASPIN

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
CN-114191432-A Application of harmine derivative in preparation of anti-hydatid insecticide 新疆医科大学第一附属医院 2022-03-18 — — CN claimed
CN-114191432-A Application of harmine derivative in preparation of anti-hydatid insecticide 新疆医科大学第一附属医院 2022-03-18 — — CN disclosed
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