SCHEMBL4676201

SCHEMBL4676201

O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1csc2ccc(Cl)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 4/20 0.65
PRKCB P05771 2/20 0.62
PRKCA P17252 2/20 0.62
PRKCE Q02156 2/20 0.62
PRKCH P24723 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCD Q05655 1/20 0.62
CDK4 P11802 1/20 0.58
PRKACA P17612 1/20 0.58
PRKACG P22612 1/20 0.58
PRKACB P22694 1/20 0.58
CCND1 P24385 1/20 0.58
GSK3B P49841 4/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
IDH1 O75874 1/20 0.51
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49

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
SCHEMBL4679424 0.89 CAMK2D (0.80) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL2945607 0.88 PRKCA (0.81) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4680242 0.86 PRKCA (0.72) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4680373 0.86 GSK3B (0.60) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4352410 0.85 GSK3B (0.67) CAMK2DPRKCBPRKCAGSK3BIDH1
SCHEMBL6192685 0.85 CAMK2D (0.57) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4681657 0.85 CAMK2D (0.58) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4680012 0.84 PRKCA (0.61) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL4676092 0.84 GSK3B (0.58) CAMK2DPRKCBPRKCAPRKCEPRKCH
SCHEMBL13166896 0.83 PRKCA (0.65) CAMK2DPRKCBPRKCAPRKCEPRKCH

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 3 patents. 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
EP-1513520-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
WO-2003103663-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 WO disclosed