SCHEMBL7017097

SCHEMBL7017097

COCc1cc2ccnc(OC)c2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.44
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MTNR1A P48039 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
PDE10A Q9Y233 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP2C19 P33261 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33

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
SCHEMBL7016987 0.85 TLR8 (0.49) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL7019657 0.84 TLR8 (0.44) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL7409763 0.81 TLR8 (0.49) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL16650194 0.76 KDM4E (0.40) TLR8PDE4AALDH1A1CYP3A4RAB9A
SCHEMBL16651640 0.75 TRPA1 (0.40) TLR8PDE4AMTNR1AALDH1A1CYP3A4
SCHEMBL7019368 0.75 CCR1 (0.37) TLR8MTNR1AALDH1A1CYP3A4RAB9A
SCHEMBL16651306 0.75 ALDH1A1 (0.35) TLR8MTNR1AALDH1A1CYP3A4RAB9A
SCHEMBL6606644 0.72 LMNA (0.53) ALDH1A1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL7018733 0.71 MKNK1 (0.35) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL7015062 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DMAPT

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