SCHEMBL6572826

SCHEMBL6572826

CC(C)(C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](c2nc(C3CC3)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.47
ADORA2A P29274 6/20 0.47
ADORA2B P29275 6/20 0.47
ADORA1 P30542 6/20 0.47
DOT1L Q8TEK3 1/20 0.47
PMP22 Q01453 1/20 0.43

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
SCHEMBL6575094 0.88 ADORA3 (0.49) ADORA3ADORA2AADORA2BADORA1DOT1L
SCHEMBL6576915 0.84 ADORA2A (0.61) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6574448 0.83 ADORA1 (0.64) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6573028 0.83 TYMP (0.48) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6575155 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6575157 0.81 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6574533 0.79 ADORA1 (0.53) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6574536 0.79 ADORA1 (0.53) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL6575138 0.79 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1
SCHEMBL6572956 0.79 ADORA3 (0.58) ADORA3ADORA2AADORA2BADORA1PMP22

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
EP-1090019-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-09-29 EP disclosed
EP-1447407-A1 Adenosine derivatives GLAXO GROUP LIMITED (GB) 2004-08-18 EP disclosed