SCHEMBL8742142

SCHEMBL8742142

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CN)O[C@H]1n1nc(Br)c2c(N)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.66
ATG7 O95352 10/20 0.46
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
JAK1 P23458 1/20 0.42
DOT1L Q8TEK3 1/20 0.42
DCLK1 O15075 1/20 0.42
DAPK3 O43293 1/20 0.42
DYRK3 O43781 1/20 0.42
CDK1 P06493 1/20 0.42
ROS1 P08922 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
CDK5 Q00535 1/20 0.42
DYRK1A Q13627 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
SCHEMBL22778927 0.81 ATG7 (0.55) ADKATG7
SCHEMBL8975585 0.79 ADK (1.00) ADKATG7DOT1LDCLK1DAPK3
SCHEMBL2053010 0.79 ADK (1.00) ADKATG7DOT1LDCLK1DAPK3
SCHEMBL22778919 0.79 ADK (0.57) ADKATG7DOT1LDCLK1DAPK3
SCHEMBL22778871 0.79 ATG7 (0.56) ATG7
SCHEMBL22778873 0.79 ADK (0.57) ADKATG7DOT1LDCLK1DAPK3
SCHEMBL22778921 0.78 ATG7 (0.58) ATG7
SCHEMBL22778870 0.78 ATG7 (0.58) ATG7
SCHEMBL8975866 0.73 ADK (1.00) ADKATG7DOT1LDCLK1DAPK3
SCHEMBL6419293 0.71 LMNA (0.52)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed