SCHEMBL28545830

SCHEMBL28545830

COc1ccc(-n2ccc3cccnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.47
CDC7 O00311 1/20 0.47
CDK2 P24941 1/20 0.47
CLK4 Q9HAZ1 2/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
PRKACA P17612 1/20 0.45

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
SCHEMBL5395483 0.84 CYP19A1 (0.42) BRAFCDC7CDK2RAB9AMAPT
SCHEMBL4809563 0.83 NOS3 (0.39) BRAFCDC7CDK2CLK4AURKA
SCHEMBL4809566 0.83 NOS3 (0.39) BRAFCDC7CDK2CLK4AURKA
SCHEMBL14194642 0.83 NOS3 (0.39) BRAFCDC7CDK2CLK4AURKA
SCHEMBL28537449 0.82 L3MBTL1 (0.54) BRAFCDC7CDK2PTK2MAPT
SCHEMBL2295195 0.82 CDC7 (0.53) CDC7CDK2RAB9ANPC1SLC22A12
SCHEMBL28553993 0.81 MAPT (0.44) BRAFCDC7CDK2METRAB9A
SCHEMBL5314321 0.81 SLC22A12 (0.47) CDC7CDK2PDGFRBPDGFRAPTK2
SCHEMBL30828406 0.80 CDC7 (0.54) BRAFCDC7CDK2ALDH1A1SLC22A12
SCHEMBL1150333 0.80 CDC7 (0.54) BRAFCDC7CDK2ALDH1A1SLC22A12

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
CN-112480111-A Synthesis method of 7-azaindole substituted aryl acetate compound 江苏理工学院 2021-03-12 CN disclosed