SCHEMBL3805877

SCHEMBL3805877

CCn1c(N2CCO[C@@H](c3ccc(N(C)C4CCCCC4)cc3)C2)nc(-c2ccncc2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 19/20 0.58
▸ CYP2D6 P10635 8/20 0.58
▸ CYP1A2 P05177 5/20 0.58
▸ CSNK1A1 P48729 1/20 0.46
▸ GSK3A P49840 1/20 0.46

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
SCHEMBL497069 0.91 GSK3B (0.70) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL497313 0.91 GSK3B (0.70) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063525 0.84 GSK3B (0.81) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87719 0.80 GSK3B (0.75) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL87851 0.80 GSK3B (0.75) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL88509 0.79 GSK3B (0.76) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063705 0.79 GSK3B (0.79) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL8340473 0.76 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL13910887 0.76 GSK3B (0.86) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL13910604 0.76 GSK3B (0.90) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266979-A1 2-morpholino-4-pyrimidone compounds Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 — — EP disclosed
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