SCHEMBL7014116

SCHEMBL7014116

Cn1c(=O)c2cc(Cn3cnc4ccccc43)sc2n(CC2CC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.42
PDE1A P54750 3/20 0.42
PDE1B Q01064 3/20 0.42
PDE1C Q14123 3/20 0.42
PKM P14618 5/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNF P01375 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PARG Q86W56 1/20 0.36

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 0.85 PDE1B (0.57) PDE2APDE1APDE1BPDE1CPKM
SCHEMBL7006914 0.81 PDE2A (0.45) PDE2APDE1APDE1BPDE1CPKM
SCHEMBL7008632 0.80 BRD4 (0.41) PKMLMNAALDH1A1KDM4EMEN1
SCHEMBL7012658 0.75 ALDH1A1 (0.43) PKMLMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7005962 0.72 KMT2A (0.42) PKMLMNAHTTTSHRSMN1; SMN2
SCHEMBL16404602 0.68 HTT (0.62) LMNAHTTNPSR1TSHRCYP11B1
SCHEMBL7005664 0.67 PDE1A (0.43) PDE2APDE1APDE1BPDE1CLMNA
SCHEMBL7007034 0.67 PDE1B (0.45) PDE2APDE1APDE1BPDE1CLMNA
SCHEMBL7008006 0.65 PARG (0.43) LMNAALDH1A1PARG
SCHEMBL7008659 0.64 SLC16A1 (0.57) 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 1 patent. 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