SCHEMBL14063525

SCHEMBL14063525

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

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 18/20 0.81
▸ CYP2D6 P10635 9/20 0.81
▸ CYP1A2 P05177 7/20 0.81
▸ CSNK1A1 P48729 1/20 0.63
▸ GSK3A P49840 1/20 0.63

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
SCHEMBL4024980 0.89 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063548 0.89 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL4025571 0.89 GSK3B (1.00) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116045 0.84 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116047 0.84 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL2116909 0.84 GSK3B (0.89) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL3805877 0.84 GSK3B (0.58) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL2119087 0.83 GSK3B (0.87) GSK3BCYP2D6CYP1A2CSNK1A1GSK3A
SCHEMBL14063524 0.83 GSK3B (0.65) GSK3BCYP2D6CYP1A2
SCHEMBL13910887 0.82 GSK3B (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
US-7427615-B2 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORPORATION (JP) 2008-09-23 — — US disclosed
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