SCHEMBL7071282

SCHEMBL7071282

CC(C)CNc1nc(NCc2ccc(C(=O)O)cc2)c2sccc2n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.53
PDE4B Q07343 9/20 0.53
PDE4C Q08493 9/20 0.53
PDE4D Q08499 9/20 0.53
PDE3B Q13370 5/20 0.53
PDE3A Q14432 5/20 0.53
LRRK2 Q5S007 1/20 0.51
USP1 O94782 1/20 0.48
WDR48 Q8TAF3 1/20 0.48
ADORA2A P29274 7/20 0.47
ADORA2B P29275 6/20 0.47
CSNK2A1 P68400 1/20 0.45
ADORA1 P30542 1/20 0.45
NPR1 P16066 1/20 0.43

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
SCHEMBL7070110 0.90 LRRK2 (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7071101 0.83 ADORA2A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7070303 0.79 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7066909 0.76 ADORA2A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7071277 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20399148 0.74 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092880 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567304 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21567306 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL30092963 0.72 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B

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
WO-2003055890-A1 THIENOPYRIMIDINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 WO disclosed