SCHEMBL6771601

SCHEMBL6771601

COc1ccc(Cc2nc(Cl)nc(C)c2N)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.44
PDE4B Q07343 10/20 0.43
PDE4C Q08493 8/20 0.43
PDE4D Q08499 8/20 0.43
CSNK2A1 P68400 2/20 0.42
RECQL P46063 1/20 0.40

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
SCHEMBL6473512 0.83 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL6483494 0.82 RECQL (0.45) PDE4APDE4BPDE4CPDE4DCSNK2A1
SCHEMBL6476199 0.76 RECQL (0.45) PDE4APDE4BPDE4CPDE4DCSNK2A1
SCHEMBL6481387 0.73 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL5309679 0.72 PDE4B (0.56) PDE4APDE4BPDE4CPDE4DCSNK2A1
SCHEMBL6775035 0.72 TPH1 (0.47) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL6774108 0.72 RECQL (0.45) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL2956981 0.72 CSNK2A1 (0.66) PDE4APDE4BPDE4CPDE4DCSNK2A1
SCHEMBL9276238 0.72 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DRECQL
SCHEMBL6473525 0.71 GAA (0.43) PDE4APDE4BPDE4CPDE4DRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1043324-B1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEM CORP (JP) 2004-06-16 EP disclosed
US-6734187-B1 ANTIASTHMATIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-11 US disclosed
EP-1043324-A1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed