SCHEMBL6910977

SCHEMBL6910977

O=c1[nH]cnc2c1c(Br)nn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 7/20 0.65
CDK1 P06493 2/20 0.51
CDK2 P24941 2/20 0.51
DOT1L Q8TEK3 1/20 0.51
DCLK1 O15075 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
ROS1 P08922 1/20 0.51
RPS6KB1 P23443 1/20 0.51
FLT3 P36888 1/20 0.51
CSNK1A1 P48729 1/20 0.51
CSNK1D P48730 1/20 0.51
CLK2 P49760 1/20 0.51
IRAK1 P51617 1/20 0.51
CDK5 Q00535 1/20 0.51
DYRK1A Q13627 1/20 0.51
MELK Q14680 1/20 0.51
NTRK3 Q16288 1/20 0.51
HIPK4 Q8NE63 1/20 0.51
SLK Q9H2G2 1/20 0.51

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
SCHEMBL6910983 1.00 ADK (0.65) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910971 0.88 ADK (0.58) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910965 0.88 ADK (0.58) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL3490107 0.86 ATG7 (0.52) ADKCDK1CDK2DOT1LDCLK1
Hydrochloric Acid SCHEMBL31238488 0.82 ADK (0.52) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL3211889 0.82 ADK (0.49) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL8975866 0.79 ADK (1.00) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL8975520 0.77 ADK (0.75) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6912039 0.77 ALDH1A1 (0.55) ADKDOT1LMEN1KMT2ASMN1; SMN2
SCHEMBL1144829 0.77 ALDH1A1 (0.55) ADKDOT1LMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961775-B1 PURINE L-NUCLEOSIDES, ANALOGS AND USES THEREOF ICN PHARMACEUTICALS (US) 2004-07-14 EP disclosed
US-6479463-B1 USED TO TREAT AN INFECTION, AN INFESTATION, A NEOPLASM, OR AN AUTOIMMUNE DISEASE OR TO MODULATE ASPECTS OF THE IMMUNE SYSTEM, INCLUDING MODULATION OF TH1 AND TH2 ICN PHARMACEUTICALS, INC. 2002-11-12 US disclosed