SCHEMBL9149291

SCHEMBL9149291

CO[C@]1(CO)CC[C@H](n2cnc3c(N)nc(N)nc32)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.45
HSP90B1 P14625 2/20 0.42
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
PNP P00491 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADORA2A P29274 4/20 0.39
ADORA2B P29275 3/20 0.39
HINT1 P49773 1/20 0.39
NT5E P21589 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL9149297 1.00 AHCY (0.45) AHCYHSP90B1CDK1CCNB1CCNE1
SCHEMBL9153371 0.86 ADA (0.51) AHCYTP53ADORA2AADORA2BADORA3
SCHEMBL9153368 0.86 ADA (0.51) AHCYTP53ADORA2AADORA2BADORA3
SCHEMBL12060727 0.86 ADA (0.51) AHCYTP53ADORA2AADORA2BADORA3
SCHEMBL9548820 0.83 AHCY (0.49) AHCYHSP90B1CDK1CCNB1CCNE1
SCHEMBL9155758 0.83 KDM4E (0.34) RXFP1HSP90AA1
SCHEMBL9155751 0.83 KDM4E (0.34) RXFP1HSP90AA1
SCHEMBL10438035 0.83 LMNA (0.31) PNPLMNATP53HTTPDE4D
SCHEMBL10438033 0.83 LMNA (0.31) PNPLMNATP53HTTPDE4D
SCHEMBL24695430 0.82 AHCY (0.46) AHCYHSP90B1CDK1CCNB1CCNE1

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-5449664-A Nucleosides SYNTEX (U.S.A.) INC. (US) 1995-09-12 US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed