SCHEMBL7208885

SCHEMBL7208885

CCC(CC)Nc1nc(N[C@@H]2CCNC2)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1OC=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.38
ADORA2B P29275 4/20 0.37
CLK1 P49759 2/20 0.35
CLK2 P49760 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL7574648 0.91 ADORA2A (0.44) ADORA2AADORA2BADORA3ADORA1
Formic Acid SCHEMBL7208884 0.91 ADORA2A (0.42) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205013 0.90 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7205009 0.90 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7202130 0.90 ADORA2A (0.46) ADORA2A
SCHEMBL7208455 0.89 ADORA2A (0.39) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7574650 0.88 ADORA2A (0.45) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7202131 0.86 ADORA2A (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7211360 0.84 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7208763 0.84 CCNA2 (0.39) ADORA2AADORA2B

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
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