SCHEMBL13721754

SCHEMBL13721754

Cn1c(NCC(=O)c2ccccc2F)nc(-c2ccncn2)cc1=O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.77
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48

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
SCHEMBL13721796 0.89 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL13721974 0.89 GSK3B (0.61) GSK3BCYP1A2CYP2D6
SCHEMBL13721993 0.89 GSK3B (0.61) GSK3B
SCHEMBL13721420 0.88 GSK3B (0.60) GSK3B
SCHEMBL13722147 0.88 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL13721943 0.88 GSK3B (0.59) GSK3BCYP1A2CYP2D6
SCHEMBL13721913 0.87 GSK3B (0.61) GSK3BCYP2D6
SCHEMBL13722387 0.87 GSK3B (0.67) GSK3B
SCHEMBL13722522 0.87 GSK3B (0.59) GSK3B
SCHEMBL13910429 0.87 GSK3B (1.00) GSK3B

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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