SCHEMBL7406540

SCHEMBL7406540

COc1ncc(C(=O)Nc2ccncc2C)c2cc(C(C)(OC)OC)oc12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.44
PDE4B Q07343 12/20 0.44
PDE4C Q08493 12/20 0.44
PDE4D Q08499 12/20 0.44
IKBKE Q14164 3/20 0.39
TBK1 Q9UHD2 3/20 0.39
POLQ O75417 3/20 0.38
IL2 P60568 2/20 0.37

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
SCHEMBL7018885 0.78 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7019133 0.68
SCHEMBL7011973 0.68 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DIKBKE
SCHEMBL7019315 0.67 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL7021808 0.67 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DIKBKE
SCHEMBL7406581 0.65 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPOLQ
SCHEMBL4153508 0.64 TSHR (0.49) IL2
SCHEMBL27781445 0.64 TYK2 (0.65)
SCHEMBL21870351 0.63 RAB9A (0.60)
SCHEMBL15432258 0.63 HPGD (0.49) IKBKETBK1IL2

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-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed