SCHEMBL8235114

SCHEMBL8235114

CN(C)c1c(-c2ccnc(N[C@H]3CC[C@H](NS(C)(=O)=O)CC3)n2)cnn1C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 7/20 0.56
MAPK8 P45983 5/20 0.56
MAPK10 P53779 3/20 0.56
CDK4 P11802 11/20 0.47
GSK3B P49841 7/20 0.47
CDK2 P24941 5/20 0.47
CDK1 P06493 4/20 0.46
CCNB1 P14635 4/20 0.46
CCND1 P24385 3/20 0.46
CCNE1 P24864 2/20 0.46
CCNA2 P20248 2/20 0.43
CCNA1 P78396 2/20 0.43
CCNB2 O95067 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
IKBKB O14920 1/20 0.42

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
SCHEMBL8227614 0.84 MAPK9 (0.57) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8227608 0.80 MAPK9 (0.59) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5313486 0.77 CDK4 (0.48) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5313478 0.77 CDK4 (0.48) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5314460 0.76 CDK4 (0.47) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5314457 0.76 CDK4 (0.47) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8235108 0.73 CDK4 (0.51) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL8227898 0.73 IKBKB (0.60) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL14176051 0.72 MAPK8 (0.56) MAPK9MAPK8MAPK10CDK4GSK3B
SCHEMBL5336074 0.71 CDK4 (0.51) MAPK9MAPK8MAPK10CDK4GSK3B

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