SCHEMBL14612943

SCHEMBL14612943

N#CC(C#N)=C1C=CC(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
EGFR P00533 1/20 0.31

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
SCHEMBL14612944 0.83 EGFR (0.30) EGFR
SCHEMBL24798951 0.72 EGFR (0.34) EGFR
SCHEMBL5604697 0.66 CA1 (0.43)
SCHEMBL277815 0.64
SCHEMBL366153 0.59 GSK3A (0.71) GSK3AGSK3B
SCHEMBL28253704 0.59
SCHEMBL9144596 0.59
SCHEMBL9116321 0.59
SCHEMBL14139703 0.59 TDP1 (0.42)
SCHEMBL24134603 0.58

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
US-20070042295-A1 Optical data carrier comprising a polymeric network in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2007-02-22 US disclosed