SCHEMBL6839261

SCHEMBL6839261

CCc1cc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H]5CC[C@H](N)CC5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.69
ADORA3 P0DMS8 4/20 0.49
ADORA2B P29275 4/20 0.49
ADORA1 P30542 4/20 0.49
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48

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
SCHEMBL6839257 1.00 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7594022 1.00 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7594015 1.00 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7595236 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839823 0.91 ADORA2A (0.62) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099623 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7099618 0.89 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7202888 0.88 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL8084702 0.88 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2
SCHEMBL7202884 0.88 ADORA2A (0.69) ADORA2AADORA3ADORA2BADORA1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US claimed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed
EP-1051425-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-11-15 EP claimed
WO-1999038877-A2 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-05 WO claimed
US-6762170-B1 ANTIINFLAMMATORY AGENTS INHIBIT LEUKOCYTE RECRUITMENT AND ACTIVATION AND ARE AGONISTS OF THE ADENOSINE 2A RECEPTOR; PENDANT ISOXAZOLE; REACTING A 2,6-DIAMINOPURINE WITH A 2-(3-SUBSTITUTED ISOXAZOL-5-YL)TETRAHYDROFURAN-3,4-DIOL SMITHKLINEBEECHAM CORPORATION 2004-07-13 US disclosed
EP-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP disclosed