SCHEMBL8975415

SCHEMBL8975415

OC[C@H]1O[C@@H](n2nc(-c3ccccc3)c3c(NCc4cccnc4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 8/20 0.68
▸ ADORA3 P0DMS8 2/20 0.63
▸ ADORA2A P29274 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ TP53 P04637 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ SIGMAR1 Q99720 2/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ HTR6 P50406 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SLC28A2 O43868 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ METTL3 Q86U44 1/20 0.46
▸ METTL14 Q9HCE5 1/20 0.46

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
SCHEMBL8975239 0.91 ADK (0.71) ADKADORA3ADORA2AADORA1TP53
SCHEMBL8975693 0.89 ADK (0.63) ADKADORA3ADORA2AADORA1
SCHEMBL8975362 0.87 ADORA3 (0.66) ADKADORA3ADORA2AADORA1TP53
SCHEMBL8975011 0.87 ADORA3 (0.66) ADKADORA3ADORA2AADORA1TP53
SCHEMBL8974980 0.85 ADK (0.71) ADKADORA3TP53SLC29A1TDP1
SCHEMBL8332977 0.84 ADORA3 (0.69) ADKADORA3ADORA2AADORA1TP53
SCHEMBL8328727 0.81 ADK (1.00) ADKSLC29A1
SCHEMBL8328731 0.81 ADK (1.00) ADKSLC29A1
SCHEMBL8975769 0.79 ADK (0.66) ADK
SCHEMBL8975497 0.79 ADORA3 (0.71) ADKADORA3ADORA2AADORA1TP53

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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