SCHEMBL12954329

SCHEMBL12954329

O=C(Nc1cc(O)cc(Cl)c1)N1CCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.65
▸ CDK2 P24941 9/20 0.52
▸ CCNE1 P24864 7/20 0.52

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
SCHEMBL13121510 0.96 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13121502 0.91 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13121490 0.91 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13121509 0.88 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13121499 0.88 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13121553 0.88 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13289156 0.88 GSK3B (0.56) GSK3BCDK2CCNE1
SCHEMBL13121497 0.87 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13121484 0.87 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13121483 0.87 GSK3B (0.69) GSK3BCDK2CCNE1

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
Send feedback