SCHEMBL7015189

SCHEMBL7015189

COc1ncc(C(=O)O)c2cc(-c3cccnc3)oc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.64
PDE4B Q07343 2/20 0.64
PDE4C Q08493 2/20 0.64
PDE4D Q08499 2/20 0.64
CYP1A2 P05177 3/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1B1 Q16678 2/20 0.48
KDM4E B2RXH2 8/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PPARG P37231 1/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
PRKDC P78527 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CDK2 P24941 2/20 0.41

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
SCHEMBL7018571 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7013285 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7015963 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7015113 0.76 CYP1A2 (0.49) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7410220 0.76 CYP1A1 (0.47) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL7010243 0.74 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL24951908 0.73 NPC1 (0.56) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL29742813 0.73 NPC1 (0.56) KDM4EKMT2AMEN1HTTLMNA
SCHEMBL7014097 0.73 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7014220 0.72 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCYP1A2

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