SCHEMBL6316694

SCHEMBL6316694

CCOC(=O)c1sc(Nc2nc(N[C@@H](C)c3ccccc3)c3c(ncn3CC)n2)nc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.62
PDE3A Q14432 4/20 0.62
PDE2A O00408 2/20 0.62
PDE5A O76074 1/20 0.54
MAPT P10636 6/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
USP2 O75604 1/20 0.45
DHODH Q02127 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL6316812 1.00 PDE3B (0.62) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6324397 0.79 PDE3B (0.72) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317793 0.79 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6325720 0.79 PDE3B (0.59) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6320322 0.79 PDE3B (0.72) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6323728 0.79 PDE3B (0.59) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6318287 0.78 PDE3B (0.79) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6325498 0.78 PDE3B (0.65) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317123 0.78 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT
SCHEMBL6317562 0.78 PDE3B (0.78) PDE3BPDE3APDE2APDE5AMAPT

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