SCHEMBL27804178

SCHEMBL27804178

CCCCc1nc(N)c2ncn(Cc3ccc(CCC(=O)O)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ADORA2A P29274 6/20 0.42
ADORA1 P30542 4/20 0.42
TMIGD3 P0DMS9 3/20 0.42
ADORA2B P29275 3/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL7491638 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1146640 0.84 PNP (0.40) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6153383 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23764023 0.82 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6153440 0.81 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23764021 0.78 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23422306 0.77 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23422141 0.76 ADORA2A (0.43) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7204391 0.76 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2060050 0.76 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DADORA2A

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
CN-101679433-A Novel adenine compound DAINIPPON SUMITOMO PHARMA CO 2010-03-24 CN disclosed