SCHEMBL8975362

SCHEMBL8975362

OC[C@H]1O[C@@H](n2nc(I)c3c(NCc4cccnc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.66
▸ ADORA2A P29274 3/20 0.66
▸ ADORA1 P30542 3/20 0.66
▸ ADK P55263 7/20 0.57
▸ DOT1L Q8TEK3 1/20 0.57
▸ DCLK1 O15075 1/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ DYRK3 O43781 1/20 0.57
▸ CDK1 P06493 1/20 0.57
▸ ROS1 P08922 1/20 0.57
▸ RPS6KB1 P23443 1/20 0.57
▸ CDK2 P24941 1/20 0.57
▸ FLT3 P36888 1/20 0.57
▸ CSNK1A1 P48729 1/20 0.57
▸ CSNK1D P48730 1/20 0.57
▸ CLK2 P49760 1/20 0.57
▸ IRAK1 P51617 1/20 0.57
▸ CDK5 Q00535 1/20 0.57
▸ DYRK1A Q13627 1/20 0.57
▸ MELK Q14680 1/20 0.57

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
SCHEMBL8975011 0.90 ADORA3 (0.66) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975466 0.89 ADK (0.61) ADORA3ADORA2AADORA1ADKDOT1L
SCHEMBL8975415 0.87 ADK (0.68) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975497 0.86 ADORA3 (0.71) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8332977 0.79 ADORA3 (0.69) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL6762195 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL8328911 0.78 ADK (0.61) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8328912 0.78 ADK (0.61) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975239 0.77 ADK (0.71) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975693 0.76 ADK (0.63) ADORA3ADORA2AADORA1ADK

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
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