SCHEMBL14560146

SCHEMBL14560146

C#CCNc1cc(C2CCCCN2C(=O)OCc2ccccc2)nc2c(Br)cnn12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.44
▸ TMEM97 Q5BJF2 6/20 0.43
▸ SIGMAR1 Q99720 6/20 0.43
▸ AADAT Q8N5Z0 1/20 0.41
▸ FKBP1A P62942 1/20 0.39
▸ PREP P48147 1/20 0.39
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL12953666 0.86 GSK3B (0.62) GSK3B
SCHEMBL12954092 0.85 GSK3B (0.49) GSK3B
SCHEMBL12953873 0.84 SIGMAR1 (0.47) TMEM97SIGMAR1AADATFKBP1APREP
SCHEMBL12953756 0.75 GSK3B (0.68) GSK3B
SCHEMBL12953788 0.73 GSK3B (0.68) GSK3B
SCHEMBL12953644 0.73 GSK3B (0.62) GSK3B
SCHEMBL12954320 0.72 GSK3B (0.63) GSK3B
SCHEMBL14050894 0.72 AADAT (0.48) TMEM97SIGMAR1AADATFKBP1APREP
SCHEMBL12953650 0.71 GSK3B (0.54) GSK3B
SCHEMBL12953929 0.71 GSK3B (0.71) 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-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
Send feedback