SCHEMBL722998

SCHEMBL722998

COc1cc(-c2cc3nccc(-c4cccc(C5CNCCN5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4C Q08493 3/20 0.41
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 2/20 0.37
FYN P06241 3/20 0.36
SYK P43405 4/20 0.36
BRD4 O60885 3/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL16638609 0.79 PDE4C (0.50) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL725247 0.78 ACVR1 (0.56) PDE4CTGFBR1ACVR1
SCHEMBL722839 0.78 PDE4C (0.51) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL723093 0.78 PDE4C (0.55) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL10267650 0.78 FYN (0.54) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL723597 0.78 FYN (0.54) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL722343 0.77 PDE4C (0.47) PDE4CJAK2JAK1TYK2JAK3
SCHEMBL723539 0.77 MAPK1 (0.48) PDE4CFYN
SCHEMBL10266957 0.76 PRKCI (0.41) PDE4CBRD4
SCHEMBL15210385 0.75 PDE4C (0.46) PDE4CJAK2JAK1TYK2JAK3

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-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
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed