SCHEMBL8975805

SCHEMBL8975805

Nc1ncnc2c1c(I)nn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 1.00
DOT1L Q8TEK3 3/20 1.00
CDK5 Q00535 2/20 1.00
CDK1 P06493 2/20 1.00
CDK2 P24941 2/20 1.00
DCLK1 O15075 1/20 1.00
DAPK3 O43293 1/20 1.00
DYRK3 O43781 1/20 1.00
ROS1 P08922 1/20 1.00
RPS6KB1 P23443 1/20 1.00
FLT3 P36888 1/20 1.00
CSNK1A1 P48729 1/20 1.00
CSNK1D P48730 1/20 1.00
CLK2 P49760 1/20 1.00
IRAK1 P51617 1/20 1.00
DYRK1A Q13627 1/20 1.00
MELK Q14680 1/20 1.00
NTRK3 Q16288 1/20 1.00
HIPK4 Q8NE63 1/20 1.00
SLK Q9H2G2 1/20 1.00

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
SCHEMBL20142126 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL638908 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL638910 1.00 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975325 0.91 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20142562 0.90 ADK (0.81) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141963 0.87 ADK (0.77) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141562 0.87 ADK (0.77) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975866 0.86 ADK (1.00) ADKDOT1LCDK5CDK1CDK2
SCHEMBL8975573 0.86 ADK (0.75) ADKDOT1LCDK5CDK1CDK2
SCHEMBL20141857 0.84 ATG7 (0.73) ADKDOT1LCDK5CDK1CDK2

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
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed