SCHEMBL5459193

SCHEMBL5459193

O=C1NC(=O)C(c2cn(CCCO)c3ccc(Cl)cc23)=C1c1n[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
CCND1 P24385 1/20 0.56
GSK3B P49841 12/20 0.52
IDH1 O75874 1/20 0.52
PRKCB P05771 5/20 0.49
PRKCA P17252 5/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
PRKCG P05129 1/20 0.49
PRKCE Q02156 1/20 0.49
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46

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
SCHEMBL5326609 0.90 PRKACA (0.69) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL9087225 0.84 PRKACA (0.80) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL4340705 0.80 GSK3B (0.71) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8245376 0.80 CAMK2D (0.69) PRKACAPRKACGPRKACB
SCHEMBL9086399 0.79 PRKACA (0.68) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL26296991 0.78 GSK3B (0.60) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8239373 0.77 PRKACA (0.71) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL5755241 0.77 PRKCA (0.71) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL9088042 0.77 PRKACA (0.80) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL7873644 0.76 PRKACA (0.80) CDK4PRKACAPRKACGPRKACBCCND1

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