SCHEMBL7449974

SCHEMBL7449974

Nc1ncc2ncn(C[C@@]3(CO)C[C@H]3CO)c2n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADRA1A P35348 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL7954207 1.00 HDAC6 (0.41) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL7452547 0.79 HDAC6 (0.44) HDAC6HSP90AA1HSP90AB1
SCHEMBL7448926 0.79 HDAC6 (0.44) HDAC6HSP90AA1HSP90AB1
SCHEMBL8449238 0.79 HDAC6 (0.44) HDAC6HSP90AA1HSP90AB1
SCHEMBL7452553 0.79 HDAC6 (0.44) HDAC6HSP90AA1HSP90AB1
SCHEMBL7448936 0.79 HDAC6 (0.44) HDAC6HSP90AA1HSP90AB1
SCHEMBL14138147 0.75 HDAC6 (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL7799930 0.74 ADORA2A (0.53)
SCHEMBL8446161 0.74 KDM4E (0.46) HDAC6KDM4EALDH1A1HPGDADRA1A
SCHEMBL9230518 0.72 KDM4E (0.45) HDAC6KDM4EALDH1A1HPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941993-B1 Process for purifying 2-amino-6-chloro-9-[(1'S,2'R)-1',2'-bis(hydroxymethyl)cyclopropane-1'-yl]methylpurine AJINOMOTO KK (JP) 2002-07-17 EP disclosed
US-6172224-B1 Process for isolating 2-amino-6-chloro-9-[(1'S,2'R)-1'2'-bis(hydroxymethyl)-cyclopropane-1'-YL]methylpurine and an optical isomer thereof AJINOMOTO CO., INC. (JP) 2001-01-09 US disclosed
EP-0941993-A1 Process for purifying 2-amino-6-chloro-9-[(1'S,2'R)-1',2'-bis(hydroxymethyl)cyclopropane-1'-yl]methylpurine Ajinomoto Co., Ltd. (JP) 1999-09-15 EP disclosed