SCHEMBL7984911

SCHEMBL7984911

CCOc1nc(N)nc2ncn(CCC(CO)CO)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ADRA1A P35348 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TLR7 Q9NYK1 7/20 0.35
ADORA2A P29274 2/20 0.35
CDK1 P06493 7/20 0.33
CCNB1 P14635 7/20 0.33
CDK2 P24941 7/20 0.33
CCNE1 P24864 2/20 0.33
SRC P12931 1/20 0.32
CCNA2 P20248 5/20 0.32
CCNA1 P78396 5/20 0.32

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
SCHEMBL7979254 0.90 CDK1 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7981049 0.89 TLR7 (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5929994 0.81 CCNE1 (0.47) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7981126 0.80 ADORA2A (0.36) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5930393 0.72 HSP90AA1 (0.49) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7984151 0.70 BLM (0.46) ALDH1A1HSD17B10
SCHEMBL5929983 0.70 CCNE1 (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3155510 0.68 KDM4E (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7980975 0.68 ADORA2A (0.41) ADORA2ASRC
SCHEMBL7983989 0.68 ADORA2A (0.35) KDM4EALDH1A1HPGDADRA1AHSD17B10

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