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Sugi Predict / Compounds / SCHEMBL1832408

SCHEMBL1832408

SCHEMBL1832408

CC1(C(O)Cc2ccccc2)CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.42
▸ CYP2D6 P10635 5/20 0.41
▸ CYP46A1 Q9Y6A2 2/20 0.35
▸ CYP1A2 P05177 2/20 0.34

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
SCHEMBL1975972 0.77 FKBP1A (0.39) GSK3BCYP2D6CYP46A1
SCHEMBL15512999 0.77 GSK3B (0.44) GSK3BCYP2D6
SCHEMBL4380836 0.77 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL1832035 0.75 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL4379557 0.74 GSK3B (0.43) GSK3BCYP2D6
SCHEMBL4385249 0.73 GSK3B (0.46) GSK3BCYP2D6CYP1A2
SCHEMBL4384554 0.72 GSK3B (0.37) GSK3BCYP2D6CYP1A2
SCHEMBL1830898 0.72 GSK3B (0.43) GSK3BCYP2D6CYP1A2
SCHEMBL6223005 0.71 GSK3B (0.45) GSK3BCYP2D6CYP1A2
SCHEMBL2066100 0.71 GSK3B (0.43) GSK3BCYP2D6CYP1A2

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
JP-2011525908-A — — 2011-09-29 — — JP claimed
EP-2321315-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES Mitsubishi Tanabe Pharma Corporation (JP) 2011-05-18 — — EP claimed
WO-2009156864-A2 SUBSTITUTED ALKYL PYRIMIDIN-4-ONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-12-30 — — WO claimed