SCHEMBL4675940

SCHEMBL4675940

C#CCCN(C)CCCn1cc(C2=C(c3cccc(I)c3)C(=O)NC2=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.56
PRKCA P17252 5/20 0.55
PRKACA P17612 3/20 0.55
PRKACG P22612 3/20 0.55
PRKACB P22694 3/20 0.55
PIM1 P11309 2/20 0.55
PRKCB P05771 4/20 0.55
PRKCH P24723 3/20 0.55
PRKCQ Q04759 3/20 0.55
PRKCD Q05655 3/20 0.55
FLT3 P36888 1/20 0.54
GSK3B P49841 5/20 0.51
PRKCE Q02156 3/20 0.51
QPCT Q16769 3/20 0.51
CCNB2 O95067 3/20 0.51
CDK1 P06493 3/20 0.51
CCNB1 P14635 3/20 0.51
CCNB3 Q8WWL7 3/20 0.51
CDK2 P24941 2/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL4676697 0.91 CAMK2D (0.67) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL4675948 0.84 CAMK2D (0.57) CAMK2DPRKACAPRKACGPRKACBGSK3B
SCHEMBL4679346 0.83 CAMK2D (0.68) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL2954178 0.80 PRKCA (0.69) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL4679205 0.78 CAMK2D (0.75) CAMK2DGSK3BQPCTCDK2CCNT1
SCHEMBL13241407 0.78 CCNT1 (0.70) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL13241411 0.77 CCNT1 (0.76) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL13241410 0.76 CCNT1 (0.74) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL14488702 0.75 PRKCA (0.64) CAMK2DPRKCAPRKACAPRKACGPRKACB
SCHEMBL4676702 0.75 CAMK2D (0.69) CAMK2DPRKACAPRKACGPRKACBGSK3B

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