SCHEMBL723398

SCHEMBL723398

COc1ccc(O)cc1-c1ccnc2cc(-c3cc(OC)c(OC)c(OC)c3)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.50
PABPC1 P11940 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
PDE4C Q08493 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
BRD4 O60885 3/20 0.41
FYN P06241 3/20 0.41
TGFBR1 P36897 1/20 0.40
CHEK2 O96017 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
SYK P43405 1/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL16817186 0.88 TLR8 (0.39) CALCRLPABPC1CSNK2A2CSNK2BCSNK2A1
SCHEMBL723093 0.85 PDE4C (0.55) CALCRLPDE4CALDH1A1CYP3A4CYP1A1
SCHEMBL723597 0.85 FYN (0.54) CALCRLPABPC1CSNK2A2CSNK2BCSNK2A1
SCHEMBL724404 0.85 KDM4C (0.42) PDE4CALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL15210564 0.85 PDE4C (0.42) CALCRLPDE4CALDH1A1CYP3A4CYP1A1
SCHEMBL723790 0.84 PDE4C (0.47) CALCRLPDE4CALDH1A1CYP3A4CYP1A1
SCHEMBL725317 0.84 FYN (0.45) PDE4CALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL722941 0.84 CYP1A1 (0.40) PDE4CALDH1A1CYP3A4CYP1A1CYP1A2
SCHEMBL15210385 0.83 PDE4C (0.46) CALCRLPABPC1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15210645 0.83 PDE4C (0.40) PDE4CALDH1A1CYP3A4CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed