SCHEMBL7016987

SCHEMBL7016987

CCc1cc2ccnc(OC)c2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
PDE4A P27815 7/20 0.41
PDE4B Q07343 7/20 0.41
PDE4C Q08493 7/20 0.41
PDE4D Q08499 7/20 0.41
SLC22A12 Q96S37 2/20 0.39
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MTNR1A P48039 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL7017097 0.85 TLR8 (0.44) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL7019657 0.85 TLR8 (0.44) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL7409763 0.83 TLR8 (0.49) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL16650194 0.77 KDM4E (0.40) TLR8PDE4AALDH1A1RAB9ACYP1A2
SCHEMBL16651640 0.76 TRPA1 (0.40) TLR8PDE4AMTNR1AALDH1A1RAB9A
SCHEMBL16651306 0.76 ALDH1A1 (0.35) TLR8MTNR1AALDH1A1RAB9ACYP1A2
SCHEMBL7019368 0.76 CCR1 (0.37) TLR8MTNR1AALDH1A1RAB9ACYP1A2
SCHEMBL7018733 0.72 MKNK1 (0.35) TLR8PDE4APDE4BPDE4CPDE4D
SCHEMBL348215 0.71 LMNA (0.54) ALDH1A1RAB9AKDM4ELMNAMAPK1
SCHEMBL10559182 0.71 CA2 (0.50) ALDH1A1

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