SCHEMBL4680883

SCHEMBL4680883

COc1ccccc1C1=C(c2cn(CC=O)c3ccccc23)C(=O)NC1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.63
QPCT Q16769 2/20 0.63
KDR P35968 6/20 0.57
FLT3 P36888 5/20 0.57
PRKCB P05771 3/20 0.56
PRKCG P05129 1/20 0.56
PRKCA P17252 2/20 0.54
PRKACA P17612 1/20 0.53
PRKACG P22612 1/20 0.53
PRKACB P22694 1/20 0.53

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
SCHEMBL4683228 0.81 GSK3B (0.58) GSK3BQPCTKDRFLT3PRKCB
SCHEMBL4682950 0.80 GSK3B (0.64) GSK3BQPCTKDRFLT3PRKCB
SCHEMBL4682947 0.79 GSK3B (0.62) GSK3BQPCTKDRFLT3PRKCB
SCHEMBL8162775 0.79 PRKACA (0.63) GSK3BKDRFLT3PRKCAPRKACA
SCHEMBL2955240 0.74 GSK3B (0.57) GSK3BQPCTKDRPRKCBPRKCG
SCHEMBL1127716 0.73 GSK3B (0.64) GSK3BQPCTKDRPRKCBPRKCG
SCHEMBL4680645 0.73 PRKCG (0.57) GSK3BQPCTKDRPRKCBPRKCG
SCHEMBL12507154 0.73 KDR (0.85) GSK3BQPCTKDRFLT3PRKCA
SCHEMBL12607357 0.73 GSK3B (1.00) GSK3BKDRFLT3PRKCA
SCHEMBL12506836 0.73 GSK3B (1.00) GSK3BQPCTKDRFLT3PRKCB

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-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed