SCHEMBL5751276

SCHEMBL5751276

COc1cc(-c2nc3c(C)nn(-c4ccccc4)c3c(=O)[nH]2)cnc1N1CCC(NC(C)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 9/20 0.42
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
SMPD2 O60906 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5751271 0.85 PDE7A (0.54) SMPD3PDE7APDE7B
SCHEMBL1813866 0.79 CKS1B (0.40) SMPD3CKS1BSKP1SKP2PDE7A
SCHEMBL5236084 0.74 PDE7A (0.51) PDE7APDE7B
SCHEMBL5234076 0.73 PDE7A (0.49) PDE7APDE7B
SCHEMBL5230535 0.73 PDE7A (0.48) PDE7APDE7BMAPT
SCHEMBL5232794 0.72 PDE7A (0.49) PDE7APDE7B
SCHEMBL5230543 0.72 PDE7A (0.62) PDE7APDE7B
SCHEMBL5230908 0.72 PDE7A (0.44) PDE7APDE7B
SCHEMBL5230266 0.71 PDE7A (0.47) PDE7APDE7B
SCHEMBL5232097 0.71 PDE7A (0.63) PDE7APDE7B

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