SCHEMBL8229248

SCHEMBL8229248

Cn1ncc(-c2ccnc(NC3CCC(CO)CC3)n2)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.50
GSK3B P49841 8/20 0.50
CDK2 P24941 4/20 0.50
PIK3C3 Q8NEB9 4/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
CDK1 P06493 3/20 0.46
CCNA2 P20248 3/20 0.46
CCNE1 P24864 1/20 0.46
CCND3 P30281 1/20 0.46
CDK6 Q00534 1/20 0.46
CSNK1A1 P48729 2/20 0.43
CDK7 P50613 2/20 0.43
CDK9 P50750 2/20 0.43
CCNB1 P14635 2/20 0.43

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
SCHEMBL8233031 0.87 PIK3C3 (0.54) CDK4GSK3BCDK2PIK3C3MAPK8
SCHEMBL8227901 0.86 CDK4 (0.57) CDK4GSK3BCDK2MAPK8CDK1
SCHEMBL8235871 0.85 CDK4 (0.58) CDK4GSK3BCDK2PIK3C3MAPK8
SCHEMBL8235108 0.84 CDK4 (0.51) CDK4GSK3BCDK2PIK3C3MAPK8
SCHEMBL5310500 0.83 CDK4 (0.48) CDK4GSK3BCDK2PIK3C3PIK3CD
SCHEMBL5310502 0.83 CDK4 (0.48) CDK4GSK3BCDK2PIK3C3PIK3CD
SCHEMBL5314566 0.81 CDK4 (0.46) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8234846 0.81 CDK4 (0.44) CDK4GSK3BCDK2PIK3C3MAPK8
SCHEMBL8233810 0.80 CDK4 (0.42) CDK4GSK3BCDK2PIK3C3PIK3CD
SCHEMBL8228339 0.80 MKNK1 (0.50) CDK4GSK3BCDK2PIK3C3PIK3CD

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-2007129195-A2 4-PYRIMIDINE-5-AMINO-PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-15 WO disclosed