SCHEMBL29061172

SCHEMBL29061172

C=CCn1c2cc(O)ccc2c2ccnc(C)c21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.49
▸ HASPIN Q8TF76 4/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 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
SCHEMBL27921175 0.84 DYRK1A (0.67) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL23150420 0.82 DYRK1A (0.73) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL27939720 0.81 DYRK1A (0.50) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL8852076 0.80 DYRK1A (0.70) DYRK1AHASPIN
SCHEMBL16123659 0.79 DYRK1A (0.71) DYRK1AHASPINHTR2AHTR2C
SCHEMBL12070353 0.79 DYRK1A (0.73) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL30939988 0.79 DYRK1A (0.71) DYRK1AHASPINHTR2AHTR2C
SCHEMBL12288128 0.78 HASPIN (0.74) DYRK1AHASPIN
SCHEMBL30939875 0.78 HASPIN (0.74) DYRK1AHASPIN
SCHEMBL16123580 0.77 DYRK1A (0.47) DYRK1AHASPINACHEMAOAHTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496272-B 7-Benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2024-08-13 — — CN claimed
CN-116496272-A 7-benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2023-07-28 — — CN claimed
CN-116496272-B 7-Benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2024-08-13 — — CN disclosed
CN-116496272-A 7-benzyl piperazinyl-9-allyl dehydropeganine derivative and preparation method and application thereof 延安大学 2023-07-28 — — CN disclosed
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