SCHEMBL725061

SCHEMBL725061

COc1ccc(-c2cc3nccc(-c4ccc5cc[nH]c5c4)c3o2)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 2/20 0.55
CYP1A1 P04798 1/20 0.45
CYP1B1 Q16678 1/20 0.45
TERT O14746 2/20 0.40
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PRKCQ Q04759 2/20 0.37
PRKDC P78527 1/20 0.37
SYK P43405 1/20 0.37
ADORA2A P29274 1/20 0.37
BRD4 O60885 2/20 0.36
S1PR1 P21453 1/20 0.36
MAP3K11 Q16584 1/20 0.36
LRRK2 Q5S007 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CHRNB4 P30926 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
SCHEMBL10267529 0.88 PDE4C (0.64) PDE4CCYP1A1CYP1B1TERTTLR8
SCHEMBL722554 0.83 KDM4E (0.44) PDE4CCYP1A1CYP1B1TERTADORA2A
SCHEMBL725307 0.80 PDE4C (0.54) PDE4CPRKCQBRD4MAP3K11LRRK2
SCHEMBL16817173 0.75 PDE4D (0.41) PDE4CADORA2AJAK2JAK1TYK2
SCHEMBL721356 0.74 KDM4E (0.42) CYP1A1CYP1B1TERTAMY1A
SCHEMBL723994 0.73 PRKCQ (0.43) PRKCQBRD4JAK2JAK3
SCHEMBL724878 0.73 LRRK2 (0.47) PDE4CCYP1A1CYP1B1PRKDCBRD4
SCHEMBL723240 0.73 PDE4C (0.45) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL724620 0.72 PDE4A (0.51) PDE4CCYP1A1CYP1B1TERTADORA2A
SCHEMBL724279 0.72 CCNT1 (0.43) PDE4CAMY1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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