SCHEMBL7531797

SCHEMBL7531797

CCc1nc(Cl)c2ncn([C@@H]3O[C@H](COC)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
NT5E P21589 2/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
ADK P55263 1/20 0.50
ADORA2A P29274 2/20 0.49
TYMP P19971 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 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
SCHEMBL18526554 0.88 ADORA3 (0.80) ADORA3LMNATP53NT5ECA1
SCHEMBL6663776 0.87 ADORA3 (0.69) ADORA3LMNATP53NT5ECA1
SCHEMBL16160996 0.86 ADORA3 (0.74) ADORA3LMNATP53NT5ECA1
SCHEMBL6560740 0.82 TYMP (0.68) ADORA3LMNATP53ADKADORA2A
SCHEMBL7197163 0.82 TYMP (0.68) ADORA3LMNATP53ADKADORA2A
SCHEMBL7197169 0.82 TYMP (0.68) ADORA3LMNATP53ADKADORA2A
SCHEMBL7533606 0.82 RXFP1 (0.47) ADORA3LMNATP53NT5E
SCHEMBL7529814 0.80 ADORA3 (0.62) ADORA3NT5EADORA2AADORA1
SCHEMBL7529806 0.80 ADORA3 (0.62) ADORA3NT5EADORA2AADORA1
SCHEMBL4451649 0.80 ADORA3 (1.00) ADORA3NT5ECA1CA2CA4

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
EP-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
EP-0901499-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043300-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed