Sugi Predict

Sugi Predict / Compounds / SCHEMBL7102053

SCHEMBL7102053

SCHEMBL7102053

CCn1cnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCN5CCCCC5)nc43)[C@H](O)[C@@H]2O)n1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.73
▸ ADORA3 P0DMS8 3/20 0.54
▸ ADORA2B P29275 3/20 0.54
▸ ADORA1 P30542 3/20 0.54

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
SCHEMBL7160786 0.89 ADORA2A (0.75) ADORA2A
SCHEMBL7160790 0.89 ADORA2A (0.75) ADORA2A
SCHEMBL5086172 0.89 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5089331 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8451075 0.88 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7222636 0.88 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7087538 0.87 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7089485 0.87 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7135983 0.87 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7104836 0.87 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 — — EP claimed
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 — — EP disclosed