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Sugi Predict / Compounds / SCHEMBL7119044

SCHEMBL7119044

SCHEMBL7119044

O=CO[C@@H]1[C@H](O)[C@@H](c2nnc[nH]2)O[C@H]1n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.46
▸ ADORA1 P30542 5/20 0.44
▸ ADORA3 P0DMS8 4/20 0.44
▸ ADORA2B P29275 4/20 0.44
▸ CDK1 P06493 2/20 0.41
▸ CDK5 Q00535 2/20 0.41

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
SCHEMBL7762317 1.00 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7160130 0.90 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7118430 0.90 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7117081 0.90 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7099576 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7104788 0.89 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7100287 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7102136 0.86 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7231164 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7113403 0.85 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2B

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
EP-1090020-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-05 — — EP disclosed