SCHEMBL4543246

SCHEMBL4543246

CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc([AsH]C)n1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
YTHDC1 Q96MU7 12/20 0.35
ADORA2A P29274 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL3140815 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133851 0.85 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3133728 0.85 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3136316 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3140705 0.83 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131859 0.82 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3131745 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137258 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3130715 0.81 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3137469 0.80 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DPDE5A

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
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed