SCHEMBL7017255

SCHEMBL7017255

COc1ncc(C(=O)O)c2cc(C3(OC)CCN(C)CC3)oc12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.52
PDE4B Q07343 11/20 0.52
PDE4C Q08493 11/20 0.52
PDE4D Q08499 11/20 0.52
BRD4 O60885 1/20 0.32
KMT2A Q03164 1/20 0.30
SCD5 Q86SK9 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL7020260 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7017625 0.73 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7408555 0.73 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL7011850 0.73 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL7010243 0.70 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7014097 0.69 PDE4A (0.62) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015027 0.69 PDE4A (0.65) PDE4APDE4BPDE4CPDE4D
SCHEMBL7014220 0.69 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015746 0.68 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7018885 0.68 PDE4A (0.40) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP claimed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP claimed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US claimed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO claimed
EP-1086106-B1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LTD (GB) 2003-08-20 EP disclosed
EP-1086106-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE Darwin Discovery Limited (GB) 2001-03-28 EP disclosed
US-6169090-B1 FOR INHIBITION OF PHOSPHODIESTERASE IV DARWIN DISCOVERY, LTD. (GB) 2001-01-02 US disclosed
WO-1999064423-A1 FUROPYRIDINE DERIVATIVES AND THEIR THERAPEUTICAL USE DARWIN DISCOVERY LIMITED (GB) 1999-12-16 WO disclosed