SCHEMBL7102282

SCHEMBL7102282

NC1CCC(Nc2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4O[C@H](Cn5nccn5)[C@@H](OC=O)[C@H]4O)c3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.63
ADORA3 P0DMS8 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
CCNE2 O96020 2/20 0.45
CDK1 P06493 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
CCNB2 O95067 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
FLT3 P36888 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL7102281 0.95 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1CCNE2
Formic Acid SCHEMBL7102289 0.91 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7102280 0.91 ADORA2A (0.67) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102409 0.90 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7102408 0.90 ADORA2A (0.71) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7114068 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1CCNE2
SCHEMBL7105212 0.84 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1CCNE2
SCHEMBL7099606 0.83 ADORA2A (0.60) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103604 0.83 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1CCNE2
SCHEMBL7100934 0.83 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090021-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed
EP-1090021-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067266-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed