SCHEMBL9217733

SCHEMBL9217733

Nc1ncnc2c1nc(Cl)n2C1C(F)=CC(O)C1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.60
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
HSPA8 P11142 3/20 0.40
HSPA5 P11021 2/20 0.40
HSP90B1 P14625 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
NADK O95544 1/20 0.38
AMD1 P17707 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL9217727 1.00 AHCY (0.60) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL864060 0.87 AHCY (0.58) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL9213150 0.87 AHCY (0.58) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL9223106 0.76 AHCY (0.64) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL9223113 0.76 AHCY (0.64) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL9215378 0.75 AHCY (1.00) AHCYADORA2A
SCHEMBL9215373 0.75 AHCY (1.00) AHCYADORA2A
SCHEMBL9219751 0.75 AHCY (1.00) AHCYADORA2A
SCHEMBL9215301 0.73 AHCY (0.66) AHCYPDE4APDE4BPDE4CPDE4D
SCHEMBL9215307 0.73 AHCY (0.66) AHCYPDE4APDE4BPDE4CPDE4D

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-0347852-B1 Novel neplanocin derivatives MERRELL DOW PHARMA (US) 1995-08-23 EP disclosed
EP-0347852-A2 Novel neplanocin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-12-27 EP disclosed