SCHEMBL5753361

SCHEMBL5753361

COc1cc(-c2nc3c(c(-c4ccccc4)nn3C)c(=O)[nH]2)cnc1S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
RECQL P46063 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
GUSB P08236 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PDE7A Q13946 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP1 P09874 1/20 0.36
HCRTR1 O43613 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
SCHEMBL5229312 0.81 PDE7A (0.47) PDE5AHTTKDM4EPDE7A
SCHEMBL5753357 0.80 PDE7A (0.59) PDE5APDE7A
SCHEMBL5230247 0.79 POLB (0.44) HPGDKDM4ENPSR1TNKSPARP1
SCHEMBL5237936 0.78 POLB (0.54) PDE5AHPGDHTTKDM4EMEN1
SCHEMBL5231538 0.77 PDE5A (0.57) PDE5AHTTKDM4EPDE7ATNKS
SCHEMBL1812118 0.77 PDE5A (0.41) PDE5ARECQLHPGDHTTKDM4E
SCHEMBL5234164 0.76 PDE5A (0.47) PDE5AHTTPDE7A
SCHEMBL5228186 0.74 PDE7A (0.49) PDE5AHTTKDM4EPDE7AMEN1
SCHEMBL5230077 0.74 PDE7A (0.49) PDE5AHTTKDM4EPDE7APARP1
SCHEMBL5231510 0.74 PDE7A (0.64) PDE5AHTTPDE7A

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
EP-1636235-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS Daiichi Asubio Pharma Co., Ltd. (JP) 2006-03-22 EP disclosed
WO-2004111054-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS DAIICHI ASUBIO PHARMA CO.,LTD. (JP) 2004-12-23 WO disclosed