SCHEMBL9548624

SCHEMBL9548624

N#CC1(CO)CC[C@H](n2cnc3c(N)nc(N)nc32)O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.45
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 2/20 0.38
HSP90B1 P14625 2/20 0.38
ADORA3 P0DMS8 3/20 0.37
HSP90AA1 P07900 1/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
PI4K2A Q9BTU6 1/20 0.36

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
SCHEMBL2520562 0.90 AHCY (0.47) AHCYPNPLMNATP53HTT
SCHEMBL9548808 0.86 ADA (0.51) AHCYTP53ADORA2AADORA3PI4K2A
SCHEMBL9548804 0.85 HINT1 (0.40) AHCYPNPLMNATP53HTT
SCHEMBL9548820 0.83 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL9548708 0.82 ADORA3 (0.51) PNPADORA3
SCHEMBL24695430 0.80 AHCY (0.46) AHCYPNPLMNATP53HTT
SCHEMBL2524440 0.79 PDE4D (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL22855175 0.79 AHCY (0.47) AHCYPNPLMNATP53HTT
SCHEMBL2520516 0.79 AHCY (0.47) AHCYPNPLMNATP53HTT
SCHEMBL25867818 0.79 PNP (0.39) PNPLMNATP53HTTPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed