SCHEMBL9683352

SCHEMBL9683352

CCOP(=O)(CC(O)COn1cnc2c(OC)nc(N)nc21)OCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PNP P00491 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL9685521 0.90 HSP90AA1 (0.35) HSP90AA1HSP90AB1PNP
SCHEMBL9857620 0.89 HPRT1 (0.35) HSP90AA1HSP90AB1
SCHEMBL9555558 0.83 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL9555553 0.83 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL9555585 0.83 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL9675797 0.82 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL9675785 0.82 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL9186230 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1MAPK1CDK1CCNB1
SCHEMBL27462819 0.78 HSP90AB1 (0.46) HSP90AA1HSP90AB1CDK1CCNB1CCNE1
SCHEMBL9684337 0.77 HSP90AA1 (0.35) HSP90AA1HSP90AB1PNPCDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed