SCHEMBL8852076

SCHEMBL8852076

CCCCn1c2cc(O)ccc2c2ccnc(C)c21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.70
▸ HASPIN Q8TF76 7/20 0.57

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
SCHEMBL12288128 0.88 HASPIN (0.74) DYRK1AHASPIN
SCHEMBL30939875 0.88 HASPIN (0.74) DYRK1AHASPIN
SCHEMBL30939902 0.87 DYRK1A (0.55) DYRK1AHASPIN
SCHEMBL16123596 0.87 DYRK1A (0.55) DYRK1AHASPIN
SCHEMBL27921175 0.87 DYRK1A (0.67) DYRK1AHASPIN
SCHEMBL27899833 0.84 DYRK1A (0.55) DYRK1AHASPIN
SCHEMBL30939988 0.84 DYRK1A (0.71) DYRK1AHASPIN
SCHEMBL16123659 0.84 DYRK1A (0.71) DYRK1AHASPIN
SCHEMBL17102959 0.84 DYRK1A (0.84) DYRK1AHASPIN
SCHEMBL2217125 0.82 DYRK1A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 — — CN disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 — — CN disclosed
US-5591738-A Method of treating chemical dependency using β-carboline alkaloids, derivatives and salts thereof NDA INTERNATIONAL, INC. (US) 1997-01-07 — — US disclosed
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