SCHEMBL6768489

SCHEMBL6768489

COc1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.55
PDE4B Q07343 18/20 0.55
PDE4C Q08493 18/20 0.55
PDE4D Q08499 18/20 0.55
YTHDC1 Q96MU7 1/20 0.54
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50

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
SCHEMBL6773096 0.89 YTHDC1 (0.71) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL5460319 0.82 YTHDC1 (0.63) YTHDC1HSP90AA1HSP90AB1
SCHEMBL3392226 0.77 HSP90AB1 (0.77) YTHDC1HSP90AA1HSP90AB1
SCHEMBL3582728 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL6481387 0.77 PDE4B (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL3821565 0.76 YTHDC1 (0.57) YTHDC1HSP90AA1HSP90AB1
SCHEMBL6155940 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4D
SCHEMBL6675074 0.74 PDE4B (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL5458838 0.73 YTHDC1 (0.76) YTHDC1HSP90AA1HSP90AB1
SCHEMBL11827194 0.73 HDAC6 (0.54) YTHDC1HSP90AA1HSP90AB1

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