SCHEMBL7979254

SCHEMBL7979254

CCCCOc1nc(N)nc2ncn(CCC(CO)CO)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.43
CCNB1 P14635 5/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
PIN1 Q13526 1/20 0.43
TLR7 Q9NYK1 8/20 0.38
ADORA2A P29274 1/20 0.35
NOS1 P29475 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ADRA1A P35348 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADA P00813 1/20 0.33
TLR8 Q9NR97 2/20 0.33

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 0.90 KDM4E (0.35) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7981049 0.86 TLR7 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL7981126 0.77 ADORA2A (0.36) TLR7ADORA2AKDM4EALDH1A1HPGD
SCHEMBL23422294 0.76 CDK1 (0.41) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL23420236 0.75 TLR7 (0.46) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL23421933 0.75 CDK1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL23420949 0.73 CDK1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL23420721 0.73 TLR7 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5929994 0.71 CCNE1 (0.47) CDK1CCNB1CDK2TLR7KDM4E
SCHEMBL23421363 0.70 TLR7 (0.43) CDK1CCNB1CCNA2CDK2CCNA1

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