SCHEMBL8975520

SCHEMBL8975520

OC[C@H]1O[C@@H](n2nc(Br)c3c(Cl)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 12/20 0.75
CDK1 P06493 2/20 0.58
CDK2 P24941 2/20 0.58
DOT1L Q8TEK3 1/20 0.58
DCLK1 O15075 1/20 0.58
DAPK3 O43293 1/20 0.58
DYRK3 O43781 1/20 0.58
ROS1 P08922 1/20 0.58
RPS6KB1 P23443 1/20 0.58
FLT3 P36888 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CSNK1D P48730 1/20 0.58
CLK2 P49760 1/20 0.58
IRAK1 P51617 1/20 0.58
CDK5 Q00535 1/20 0.58
DYRK1A Q13627 1/20 0.58
MELK Q14680 1/20 0.58
NTRK3 Q16288 1/20 0.58
HIPK4 Q8NE63 1/20 0.58
SLK Q9H2G2 1/20 0.58

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
SCHEMBL8975573 0.86 ADK (0.75) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL8975866 0.86 ADK (1.00) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL8975008 0.83 ADK (0.63) ADK
SCHEMBL8331463 0.79 ADK (0.75) ADKDOT1LSLC29A1
SCHEMBL23273898 0.79 ADK (0.75) ADKDOT1LSLC29A1
SCHEMBL13598797 0.77 ADORA2A (0.48) ADKSLC29A1
SCHEMBL6910983 0.77 ADK (0.65) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL6910977 0.77 ADK (0.65) ADKCDK1CDK2DOT1LDCLK1
SCHEMBL8328912 0.76 ADK (0.61) ADKSLC29A1
SCHEMBL2053010 0.76 ADK (1.00) ADKCDK1CDK2DOT1LDCLK1

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