SCHEMBL8975011

SCHEMBL8975011

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.66
▸ ADORA2A P29274 3/20 0.66
▸ ADORA1 P30542 3/20 0.66
▸ ADK P55263 6/20 0.57
▸ SIGMAR1 Q99720 2/20 0.51
▸ HTR2B P41595 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SLC29A1 Q99808 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ METTL3 Q86U44 1/20 0.48
▸ METTL14 Q9HCE5 1/20 0.48
▸ ADORA2B P29275 1/20 0.47
▸ SLC28A2 O43868 1/20 0.47
▸ HTR1D P28221 1/20 0.47

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
SCHEMBL8975362 0.90 ADORA3 (0.66) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8328912 0.89 ADK (0.61) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8328911 0.89 ADK (0.61) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975415 0.87 ADK (0.68) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8332277 0.84 ADK (0.59) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8332286 0.84 ADK (0.59) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8975497 0.81 ADORA3 (0.71) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL8332977 0.79 ADORA3 (0.69) ADORA3ADORA2AADORA1ADKSIGMAR1
SCHEMBL6762195 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL8975466 0.78 ADK (0.61) ADORA3ADORA2AADORA1ADKSIGMAR1

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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