SCHEMBL5326609

SCHEMBL5326609

O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1n[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.69
PRKACG P22612 2/20 0.69
PRKACB P22694 2/20 0.69
CDK4 P11802 1/20 0.69
CCND1 P24385 1/20 0.69
IDH1 O75874 1/20 0.63
GSK3B P49841 4/20 0.61
PRKCB P05771 2/20 0.60
PRKCA P17252 2/20 0.60
PRKCE Q02156 1/20 0.60
KDR P35968 1/20 0.57
FLT3 P36888 1/20 0.57
CAMK2D Q13557 3/20 0.55
CCNB2 O95067 3/20 0.54
CDK1 P06493 3/20 0.54
CCNB1 P14635 3/20 0.54
CCNB3 Q8WWL7 3/20 0.54
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK2 P24941 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
SCHEMBL8245376 0.90 CAMK2D (0.69) PRKACAPRKACGPRKACBCAMK2DPIM1
SCHEMBL5459193 0.90 CDK4 (0.56) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL5755241 0.87 PRKCA (0.71) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8239373 0.87 PRKACA (0.71) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL7873644 0.87 PRKACA (0.80) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL4340705 0.86 GSK3B (0.71) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8074668 0.82 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL5333204 0.81 CDK2 (0.71) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL3139598 0.81 GSK3B (0.78) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL13166904 0.81 CAMK2D (0.78) PRKACAPRKACGPRKACBCDK4CCND1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007008514-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GEORGETOWN UNIVERSITY (US) 2007-01-18 WO disclosed
WO-2007008514-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GEORGETOWN UNIVERSITY (US) 2007-01-18 WO disclosed