SCHEMBL8072893

SCHEMBL8072893

CC1(C)OCC(COOc2nc(N)nc3nc[nH]c23)O1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 0.48
CCNB1 P14635 18/20 0.48
CCNA2 P20248 17/20 0.48
CDK2 P24941 17/20 0.48
CCNA1 P78396 17/20 0.48
PIN1 Q13526 2/20 0.47
CCNB2 O95067 1/20 0.47
MAPK3 P27361 1/20 0.47
CLK1 P49759 1/20 0.47
CDK5 Q00535 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
MAP3K5 Q99683 1/20 0.47
MGMT P16455 5/20 0.46

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
SCHEMBL7981045 0.90 CDK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8075242 0.90 CDK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4428837 0.90 CDK1 (0.57) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL8076767 0.87 CDK1 (0.50) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6263155 0.73 CA2 (0.37) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL6399589 0.69 CA2 (0.43)
SCHEMBL6399587 0.69 CA2 (0.43)
SCHEMBL10471471 0.68 CCNK (0.38) CDK2
SCHEMBL8069356 0.67 CDK1 (0.69) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL5201806 0.67 CDK1 (0.65) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP claimed
WO-1999002162-A9 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RES CAMPAIGN TECH (GB) 1999-07-29 WO claimed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 WO claimed
EP-1017394-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-07-12 EP disclosed
WO-1999002162-A1 CYCLIN DEPENDENT KINASE INHIBITING PURINE DERIVATIVES CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-01-21 WO disclosed