SCHEMBL4683228

SCHEMBL4683228

CCOC(Cn1cc(C2=C(c3ccccc3OC)C(=O)NC2=O)c2ccccc21)OCC

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.58
QPCT Q16769 2/20 0.58
KDR P35968 6/20 0.52
FLT3 P36888 5/20 0.52
CCNE2 O96020 1/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
PRKCB P05771 2/20 0.50
PRKCA P17252 2/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49
PRKACB P22694 1/20 0.49
CAMK2D Q13557 1/20 0.48

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
SCHEMBL4680883 0.81 GSK3B (0.63) GSK3BQPCTKDRFLT3PRKCB
SCHEMBL6194938 0.76 CAMK2D (0.44) GSK3BKDRFLT3CCNE2CDK4
SCHEMBL4682950 0.76 GSK3B (0.64) GSK3BQPCTKDRFLT3CDK4
SCHEMBL4682947 0.75 GSK3B (0.62) GSK3BQPCTKDRFLT3PRKCB
SCHEMBL8162775 0.74 PRKACA (0.63) GSK3BKDRFLT3CCNE2CDK4
SCHEMBL8167809 0.74 CDK2 (0.69) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL12507154 0.71 KDR (0.85) GSK3BQPCTKDRFLT3CDK4
SCHEMBL2955240 0.70 GSK3B (0.57) GSK3BQPCTKDRCCNE2CDK4
SCHEMBL1127716 0.69 GSK3B (0.64) GSK3BQPCTKDRCCNE2CDK4
SCHEMBL4680645 0.69 PRKCG (0.57) GSK3BQPCTKDRCDK2PRKCB

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