SCHEMBL13722053

SCHEMBL13722053

Cn1c(NCC(=O)c2cc(F)c(F)cc2Cl)nc(-c2ccncn2)cc1=O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.58
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CSNK1A1 P48729 1/20 0.41
▸ GSK3A P49840 1/20 0.41

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
SCHEMBL13910472 0.87 GSK3B (0.75) GSK3B
SCHEMBL13722147 0.87 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL13721754 0.87 GSK3B (0.77) GSK3BCYP1A2CYP2D6
SCHEMBL13721796 0.86 GSK3B (0.61) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL13721974 0.83 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL13722063 0.83 GSK3B (0.57) GSK3BCYP1A2CYP2D6
SCHEMBL13721505 0.83 GSK3B (0.59) GSK3BCYP1A2CYP2D6
SCHEMBL13722181 0.83 GSK3B (0.58) GSK3BCYP1A2CYP2D6
SCHEMBL13721805 0.82 GSK3B (0.64) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A
SCHEMBL4028511 0.82 GSK3B (0.76) GSK3BCYP1A2CYP2D6CSNK1A1GSK3A

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-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
US-7572793-B2 3-Substituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-08-11 — — US disclosed
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