SCHEMBL7586440

SCHEMBL7586440

CCN(CC)CCOc1ccc(Nc2nnc3cc(-c4ccccc4)c(=O)n(C)c3n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 10/20 0.78
NOD2 Q9HC29 10/20 0.78
ACVR1 Q04771 7/20 0.78
WEE1 P30291 6/20 0.61
SRC P12931 6/20 0.61
BTK Q06187 2/20 0.60
CHEK1 O14757 1/20 0.60
JAK2 O60674 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
NTRK1 P04629 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CSF1R P07333 1/20 0.60
RET P07949 1/20 0.60
IGF1R P08069 1/20 0.60
MET P08581 1/20 0.60

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
SCHEMBL20563994 0.88 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL7586069 0.87 FGFR1 (0.79) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL4679629 0.82 RIPK2 (0.66) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL5520426 0.81 RIPK2 (0.73) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20563559 0.80 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20564685 0.80 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL29498196 0.79 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20564638 0.79 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL20564349 0.79 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC
SCHEMBL29498217 0.79 RIPK2 (1.00) RIPK2NOD2ACVR1WEE1SRC

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-2002076396-A2 COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2002-10-03 WO claimed