SCHEMBL13721713

SCHEMBL13721713

Cn1c(NCC(=O)c2ccco2)nc(-c2ccncn2)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.53
▸ CYP2D6 P10635 1/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 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
SCHEMBL13910333 0.87 GSK3B (0.70) GSK3B
SCHEMBL13722419 0.85 GSK3B (0.58) GSK3BADORA2AADORA2BADORA1
SCHEMBL13721944 0.85 GSK3B (0.54) GSK3BADORA2AADORA2BADORA1
SCHEMBL13722124 0.84 GSK3B (0.57) GSK3BADORA2AADORA2BADORA1
SCHEMBL13721935 0.84 GSK3B (0.53) GSK3BCYP2D6
SCHEMBL4031690 0.84 GSK3B (0.75) GSK3BCYP2D6
SCHEMBL13722148 0.83 GSK3B (0.68) GSK3B
SCHEMBL13721717 0.82 GSK3B (0.56) GSK3B
SCHEMBL13722142 0.82 GSK3B (0.60) GSK3BCYP2D6
SCHEMBL13721969 0.82 GSK3B (0.52) GSK3BCYP2D6

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
Send feedback