SCHEMBL20142323

SCHEMBL20142323

Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](CO)[C@@H](O)C1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATG7 O95352 15/20 0.75
ADK P55263 4/20 0.59
DOT1L Q8TEK3 1/20 0.59
DCLK1 O15075 1/20 0.59
DAPK3 O43293 1/20 0.59
DYRK3 O43781 1/20 0.59
CDK1 P06493 1/20 0.59
ROS1 P08922 1/20 0.59
RPS6KB1 P23443 1/20 0.59
CDK2 P24941 1/20 0.59
FLT3 P36888 1/20 0.59
CSNK1A1 P48729 1/20 0.59
CSNK1D P48730 1/20 0.59
CLK2 P49760 1/20 0.59
IRAK1 P51617 1/20 0.59
CDK5 Q00535 1/20 0.59
DYRK1A Q13627 1/20 0.59
MELK Q14680 1/20 0.59
NTRK3 Q16288 1/20 0.59
HIPK4 Q8NE63 1/20 0.59

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
SCHEMBL20142733 1.00 ATG7 (0.75) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20141664 0.92 ATG7 (0.75) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20142206 0.92 ATG7 (0.75) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20141775 0.86 ATG7 (1.00) ATG7
SCHEMBL20142562 0.84 ADK (0.81) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL22778879 0.84 ATG7 (0.57) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20142214 0.83 ATG7 (0.65) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20142019 0.83 ATG7 (0.65) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20141675 0.81 ATG7 (0.56) ATG7ADKDOT1LDCLK1DAPK3
SCHEMBL20142704 0.80 ATG7 (0.74) ATG7ADKDOT1L

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-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed