SCHEMBL5840595

SCHEMBL5840595

NC1CCC(Nc2nc(Nc3cccc(F)c3)c3nc[nH]c3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 9/20 0.62
PRKCA P17252 1/20 0.49
PAK4 O96013 2/20 0.48
PDGFRA P16234 7/20 0.47
CDK2 P24941 7/20 0.47
CCNE1 P24864 6/20 0.47
SRC P12931 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 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
SCHEMBL5840603 1.00 CDK1 (0.62) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL7110928 0.84 CSNK2A1 (0.47) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL7110933 0.84 CSNK2A1 (0.47) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL4900930 0.82 FLT3 (0.48) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL4900939 0.82 FLT3 (0.48) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL4894170 0.81 FLT3 (0.60) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL4894184 0.81 FLT3 (0.60) CDK1PRKCAPAK4PDGFRACDK2
SCHEMBL4889926 0.79 MAPKAPK2 (0.55) CDK1PRKCAPDGFRACDK2CCNE1
SCHEMBL4889912 0.79 MAPKAPK2 (0.55) CDK1PRKCAPDGFRACDK2CCNE1
SCHEMBL4899218 0.78 FLT3 (0.48) CDK1PDGFRACDK2CCNE1SRC

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
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed