SCHEMBL8029387

SCHEMBL8029387

CCOP(=O)(OCC)C(OC)c1nc2c(N)ncnc2n1CCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
HSP90AA1 P07900 13/20 0.38
HSP90AB1 P08238 13/20 0.38
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
ADORA1 P30542 3/20 0.38
HSPA5 P11021 1/20 0.36
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL5369268 0.79 FBP1 (0.57) FBP1HSP90AA1HSP90AB1ADORA2AADORA2B
SCHEMBL6337579 0.77 FBP1 (0.50) FBP1HSP90AA1HSP90AB1
SCHEMBL4954814 0.76 FBP1 (0.49) FBP1HSP90AA1HSP90AB1ADORA2AADORA2B
SCHEMBL4954196 0.73 ADORA2A (0.61) FBP1HSP90AA1HSP90AB1ADORA2AADORA2B
SCHEMBL4958943 0.73 FBP1 (0.53) FBP1HSP90AA1HSP90AB1HSPA5
SCHEMBL5373064 0.72 FBP1 (0.50) FBP1HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL5362049 0.70 FBP1 (0.36) FBP1HSP90AA1HSP90AB1
SCHEMBL4956466 0.70 FBP1 (0.64) FBP1HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL4956730 0.69 FBP1 (0.56) FBP1HSP90AA1HSP90AB1ADORA2AADORA2B
SCHEMBL4956734 0.69 FBP1 (0.53) FBP1HSP90AA1HSP90AB1ADORA2AADORA2B

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
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed