SCHEMBL7981049

SCHEMBL7981049

COc1nc(N)nc2ncn(CCC(CO)CO)c12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ADRA1A P35348 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
SRC P12931 1/20 0.33
ADORA2A P29274 1/20 0.33
CDK1 P06493 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
NUDT1 P36639 1/20 0.32
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL7984911 0.89 KDM4E (0.35) TLR7KDM4EALDH1A1HPGDADRA1A
SCHEMBL7979254 0.86 CDK1 (0.43) TLR7KDM4EALDH1A1HPGDADRA1A
SCHEMBL7981126 0.81 ADORA2A (0.36) TLR7KDM4EALDH1A1HPGDADRA1A
SCHEMBL5930393 0.80 HSP90AA1 (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5929994 0.72 CCNE1 (0.47) TLR7KDM4EALDH1A1HPGDADRA1A
SCHEMBL7984151 0.71 BLM (0.46) ALDH1A1HSD17B10
SCHEMBL9019801 0.71 TLR7 (0.36) TLR7HSP90AA1HSP90AB1ADORA2ACDK1
SCHEMBL5929983 0.71 CCNE1 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7745006 0.69 HSP90AB1 (0.51) HSP90AA1HSP90AB1ADORA2ACDK1CCNB1
SCHEMBL3155510 0.69 KDM4E (0.58) TLR7KDM4EALDH1A1HPGDADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001094348-A1 ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2001-12-13 WO disclosed