SCHEMBL6768490

SCHEMBL6768490

COc1ccc(Cn2c(C)nc3c(C)nc(OCc4cccnn4)nc32)cc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.38
PDE4D Q08499 13/20 0.38
PDE4B Q07343 12/20 0.38
PDE4C Q08493 12/20 0.38
TLR7 Q9NYK1 2/20 0.38
SSTR5 P35346 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
SCHEMBL6769137 0.86 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL6772615 0.85 TLR7 (0.43) PDE4APDE4DPDE4BPDE4CTLR7
SCHEMBL6706658 0.83 PDE4A (0.45) PDE4APDE4DPDE4BPDE4CTLR7
SCHEMBL6772893 0.82 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL6474917 0.81 PDE4A (0.42) PDE4APDE4DPDE4BPDE4CTLR7
SCHEMBL6769672 0.80 AXL (0.49) PDE4APDE4DPDE4BPDE4C
SCHEMBL6481387 0.79 PDE4B (0.43) PDE4APDE4DPDE4BPDE4CSSTR5
SCHEMBL6780155 0.78 PDE4A (0.46) PDE4APDE4DPDE4BPDE4C
SCHEMBL6775579 0.75 PDE4A (0.42) PDE4APDE4DPDE4BPDE4C
SCHEMBL6773704 0.74 PDE4A (0.41) PDE4APDE4DPDE4BPDE4C

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 6 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 claimed
US-6734187-B1 ANTIASTHMATIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-11 US claimed
EP-1043324-A1 PURINE DERIVATIVES AND MEDICINE CONTAINING THE SAME AS THE ACTIVE INGREDIENT MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP claimed
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