SCHEMBL7829829

SCHEMBL7829829

N#C/C=C/c1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
USP20 Q9Y2K6 1/20 0.32

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
SCHEMBL7825041 1.00 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7825038 1.00 CCNB2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7825535 0.83 KIF11 (0.43) GSK3B
SCHEMBL8073292 0.82 IP6K1 (0.41) CDK1
SCHEMBL8073308 0.82 IP6K1 (0.41) CDK1
SCHEMBL7825711 0.82 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7822903 0.81 IAPP (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7826959 0.80 TTR (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL7826963 0.80 TTR (0.41) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL8069062 0.79 IP6K1 (0.46)

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
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed