SCHEMBL6322830

SCHEMBL6322830

CCOC(=O)c1sc(Nc2nc(NCCc3ccccn3)c3ncn(Cc4ccc(S(C)(=O)=O)cc4)c3n2)nc1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.75
PDE3A Q14432 4/20 0.75
PDE2A O00408 2/20 0.49
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
PDE5A O76074 3/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP2C9 P11712 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL6325129 0.93 PDE3B (0.77) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6324594 0.88 PDE3B (0.81) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6317366 0.88 PDE3B (0.86) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6322999 0.87 PDE3B (0.80) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6316446 0.86 PDE3B (0.74) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6318174 0.86 PDE3B (1.00) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6318240 0.86 PDE3B (0.80) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6317823 0.85 PDE3B (0.76) PDE3BPDE3APDE2AALDH1A1KDM4E
SCHEMBL6317786 0.85 PDE3B (0.78) PDE3BPDE3APDE2AMAPTALDH1A1
SCHEMBL6317158 0.84 PDE3B (0.73) PDE3BPDE3APDE2AMAPTALDH1A1

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-6838559-B2 Purine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2005-01-04 US claimed