SCHEMBL7006914

SCHEMBL7006914

CC(C)n1c(=O)n(C)c(=O)c2cc(Cn3cnc4ccccc43)sc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.45
PDE1A P54750 2/20 0.45
PDE1B Q01064 2/20 0.45
PDE1C Q14123 2/20 0.45
PKM P14618 7/20 0.42
LMNA P02545 3/20 0.42
CYP11B1 P15538 5/20 0.40
CYP11B2 P19099 5/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TNF P01375 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7005435 0.86 PDE1B (0.57) PDE2APDE1APDE1BPDE1CPKM
SCHEMBL7014116 0.81 PDE2A (0.42) PDE2APDE1APDE1BPDE1CPKM
SCHEMBL7007892 0.78 ALDH1A1 (0.45) LMNAMEN1MAPK1KMT2AALDH1A1
SCHEMBL5864573 0.74 PDE3B (0.44) PDE2APDE1APDE1BPDE1CLMNA
SCHEMBL7007770 0.72 ADORA2B (0.35) LMNAHTTALDH1A1
SCHEMBL7013217 0.69 KMT2A (0.44) LMNAMEN1MAPK1KMT2ATDP1
SCHEMBL7005664 0.68 PDE1A (0.43) PDE2APDE1APDE1BPDE1CLMNA
SCHEMBL7007034 0.67 PDE1B (0.45) PDE2APDE1APDE1BPDE1CLMNA
SCHEMBL24796994 0.65 ERCC1 (0.50) PKMLMNAMEN1MAPK1KMT2A
SCHEMBL7007060 0.64 SLC16A1 (0.43) PDE2APDE1APDE1BPDE1C

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP claimed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US claimed
EP-1107973-B1 NOVEL THIENO[2,3-d]PYRIMIDINEDIONES, PROCESS FOR THEIR PREPARATION AND USE THEREOF IN THERAPY ASTRAZENECA AB (SE) 2003-11-05 EP disclosed
US-6300334-B1 DRUGS FOR TREATMENT OF RESPIRATORY SYSTEM DISORDERS ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-1107973-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000012514-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 WO disclosed