SCHEMBL887466

SCHEMBL887466

C=CCO[C@@H]1C[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.52
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
HASPIN Q8TF76 1/20 0.44
DOT1L Q8TEK3 1/20 0.40
DCLK1 O15075 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
CDK1 P06493 1/20 0.40
ROS1 P08922 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
MELK Q14680 1/20 0.40

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
SCHEMBL10022898 1.00 ADK (0.52) ADKMTORRAB9AHASPINDOT1L
SCHEMBL14160690 1.00 ADK (0.52) ADKMTORRAB9AHASPINDOT1L
SCHEMBL2611651 1.00 ADK (0.52) ADKMTORRAB9AHASPINDOT1L
SCHEMBL17655556 0.89 ADK (0.39) ADKRAB9ADOT1LDCLK1DAPK3
SCHEMBL13222071 0.88 ADK (0.38) ADKRAB9ADOT1LDCLK1DAPK3
SCHEMBL18307354 0.84 ADK (0.44) ADKRAB9ADOT1L
SCHEMBL2611652 0.83 ADK (0.42) ADKRAB9ADOT1L
SCHEMBL427292 0.82 ADA (0.53) DOT1LSLC29A1STING1
SCHEMBL887519 0.82 ADA (0.53) DOT1LSLC29A1STING1
SCHEMBL427293 0.82 ADA (0.53) DOT1LSLC29A1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000801-B2 Four-color DNA sequencing by synthesis using cleavable fluorescent nucleotide reversible terminators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-19 US disclosed
US-10000801-B2 Four-color DNA sequencing by synthesis using cleavable fluorescent nucleotide reversible terminators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-19 US disclosed
US-20170114403-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-04-27 US disclosed
US-20170114403-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-04-27 US disclosed
US-9528151-B2 Four-color DNA sequencing by synthesis using cleavable fluorescent nucleotide reversible terminators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-12-27 US disclosed
US-20140315191-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-23 US disclosed
US-20130280700-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-24 US disclosed
US-7883869-B2 for sequencing single-stranded DNA by employing a nanopore and modified nucleotides THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-02-08 US disclosed
US-20100092952-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed