SCHEMBL7011850

SCHEMBL7011850

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.65
PDE4B Q07343 1/20 0.65
PDE4C Q08493 1/20 0.65
PDE4D Q08499 1/20 0.65
ROCK2 O75116 1/20 0.41
GPR119 Q8TDV5 4/20 0.38
PKM P14618 1/20 0.37
NAMPT P43490 8/20 0.36
PIK3CA P42336 1/20 0.35

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
SCHEMBL7015742 0.89 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL7017152 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL7020260 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7016954 0.79 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7015027 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL7015746 0.76 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7017255 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7015009 0.71 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL31284851 0.70 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DGPR119
SCHEMBL19459070 0.70 OPRD1 (0.41) PDE4APDE4BPDE4CPDE4DGPR119

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 4 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 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