SCHEMBL5313486

SCHEMBL5313486

CN(C1CCC(Nc2nccc(-c3cnn(C)c3N)n2)CC1)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.48
GSK3B P49841 7/20 0.48
CDK2 P24941 5/20 0.46
MAPK8 P45983 4/20 0.44
MAPK9 P45984 3/20 0.44
MAPK10 P53779 2/20 0.44
CDK1 P06493 4/20 0.42
CCNB1 P14635 4/20 0.42
CCNB2 O95067 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
CCNA2 P20248 3/20 0.42
CCND1 P24385 3/20 0.42
CCNA1 P78396 3/20 0.42
CCNE1 P24864 1/20 0.41
IKBKB O14920 1/20 0.41
SYK P43405 1/20 0.40

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
SCHEMBL5313478 1.00 CDK4 (0.48) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8235108 0.88 CDK4 (0.51) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5314460 0.88 CDK4 (0.47) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL5314457 0.88 CDK4 (0.47) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8227898 0.83 IKBKB (0.60) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8233031 0.82 PIK3C3 (0.54) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8235871 0.81 CDK4 (0.58) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8227901 0.79 CDK4 (0.57) CDK4GSK3BCDK2MAPK8CDK1
SCHEMBL8229248 0.79 CDK4 (0.50) CDK4GSK3BCDK2MAPK8MAPK9
SCHEMBL8233252 0.77 IKBKB (0.58) CDK4GSK3BCDK2MAPK8MAPK9

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