SCHEMBL7749489

SCHEMBL7749489

CC(=O)OCC(COC(C)=O)Cn1cnc2c(NN)nc(N)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
ADRA1A P35348 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
P2RY1 P47900 4/20 0.44
CDK2 P24941 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK1 P06493 2/20 0.40
CCNB1 P14635 1/20 0.40
HPRT1 P00492 3/20 0.40
PRKACA P17612 1/20 0.39
CCNA2 P20248 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
CCNA1 P78396 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7749458 0.84 KDM4E (0.51) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7749633 0.81 CDK2 (0.48) P2RY1CDK2CCNE1CDK1CCNB1
SCHEMBL4572438 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7750980 0.77 KDM4E (0.79) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL7749536 0.76 HPRT1 (0.67) ALDH1A1HSD17B10HPRT1MAPK1
SCHEMBL7745038 0.76 HPRT1 (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL22910681 0.75 CDK2 (0.48) CDK2CCNE1CDK1CCNB1PRKACA
SCHEMBL5508144 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL5508152 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL4572432 0.75 KDM4E (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed