SCHEMBL7204947

SCHEMBL7204947

CCc1noc([C@H]2O[C@@H](n3cnc4c(NC(CC)CC)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](OC=O)[C@@H]2O)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
CDK2 P24941 7/20 0.41
CDK1 P06493 5/20 0.41
CCNE1 P24864 5/20 0.41
CCNB2 O95067 3/20 0.41
CCNE2 O96020 3/20 0.41
CDK4 P11802 3/20 0.41
CCNB1 P14635 3/20 0.41
CCND1 P24385 3/20 0.41
CCNB3 Q8WWL7 3/20 0.41
PDGFRA P16234 8/20 0.39
FLT3 P36888 3/20 0.39
SRC P12931 2/20 0.39

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
SCHEMBL7204948 0.96 ADORA2A (0.47) ADORA2ACDK2CDK1CCNE1CCNB2
SCHEMBL7211360 0.94 ADORA2A (0.43) ADORA2A
SCHEMBL7202130 0.93 ADORA2A (0.46) ADORA2ACDK2CDK1CCNE1CCNB2
Formic Acid SCHEMBL7204951 0.91 ADORA2A (0.50) ADORA2ACDK2CDK1CCNE1CCNB2
Formic Acid SCHEMBL7204946 0.91 ADORA2A (0.50) ADORA2ACDK2CDK1CCNE1CCNB2
SCHEMBL7211364 0.90 ADORA2A (0.45) ADORA2A
SCHEMBL7207432 0.90 ADORA2A (0.51) ADORA2ACDK2CDK1CCNE1CCNB2
SCHEMBL7207428 0.90 ADORA2A (0.51) ADORA2ACDK2CDK1CCNE1CCNB2
SCHEMBL7202131 0.89 ADORA2A (0.47) ADORA2ACDK2CDK1CCNE1CCNB2
SCHEMBL7574648 0.87 ADORA2A (0.44) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed