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Sugi Predict / Compounds / SCHEMBL7100359

SCHEMBL7100359

SCHEMBL7100359

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5ccccn5)nc43)[C@H](O)[C@@H]2O)o1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.57
▸ ADORA3 P0DMS8 4/20 0.57
▸ ADORA2B P29275 4/20 0.57
▸ ADORA1 P30542 4/20 0.57
▸ PGK1 P00558 1/20 0.50
▸ PGK2 P07205 1/20 0.50

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
Formic Acid SCHEMBL7099631 0.97 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7099635 0.92 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099633 0.91 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7105160 0.86 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7099562 0.86 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103554 0.85 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103334 0.84 ADORA2A (0.58) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL5088085 0.84 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7100132 0.84 ADORA3 (0.54) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7103807 0.83 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1PGK1

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