SCHEMBL6039375

SCHEMBL6039375

CC(C)S(=O)(=O)N1CCC(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.66
MAPK8 P45983 2/20 0.66
MAPK9 P45984 2/20 0.66
JUN P05412 1/20 0.66
IGF1R P08069 18/20 0.54
KCNH2 Q12809 13/20 0.51
CDK1 P06493 1/20 0.50
CDK8 P49336 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
INSR P06213 1/20 0.50

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
SCHEMBL6039664 0.83 MAPK9 (0.72) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL22228839 0.81 CDK2 (0.64) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL22252929 0.81 CDK2 (0.64) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL31500953 0.81 CDK2 (0.64) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL6039275 0.80 CDK2 (0.70) CDK2MAPK8MAPK9JUNCDK7
SCHEMBL6039253 0.80 MAPK10 (0.73) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL22228853 0.80 CDK2 (0.59) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL31500962 0.80 CDK2 (0.59) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL21027484 0.74 IGF1R (0.56) CDK2MAPK8MAPK9JUNIGF1R
SCHEMBL20468460 0.74 CDK2 (0.56) CDK2MAPK8MAPK9JUNIGF1R

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed