SCHEMBL725426

SCHEMBL725426

COc1cc(-c2cc3nccc(-c4ccc5[nH]ncc5c4)c3o2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
FLT3 P36888 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
BRD4 O60885 2/20 0.48
IGF1R P08069 1/20 0.45
PIK3CA P42336 1/20 0.43
PDE4C Q08493 2/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL15212572 0.87 BRD4 (0.47) MAOBFLT3CYP1A1CYP1B1BRD4
SCHEMBL725307 0.85 PDE4C (0.54) BRD4PDE4CJAK2JAK1TYK2
SCHEMBL722330 0.83 RPS6KA2 (0.48) CYP1A1CYP1B1BRD4PDE4CJAK2
SCHEMBL724918 0.83 PDE4C (0.41) CYP1A1CYP1B1BRD4PDE4CJAK2
SCHEMBL723093 0.82 PDE4C (0.55) CYP1A1CYP1B1BRD4PDE4CJAK2
SCHEMBL723294 0.82 PDE4C (0.47) CYP1A1CYP1B1PDE4CJAK2JAK1
SCHEMBL722573 0.82 TERT (0.46) CYP1A1CYP1B1BRD4IGF1RPDE4C
SCHEMBL721960 0.81 JAK2 (0.62) CYP1A1CYP1B1IGF1RPIK3CAPDE4C
SCHEMBL725083 0.81 RPS6KA2 (0.41) BRD4PDE4CJAK2JAK1TYK2
SCHEMBL15209738 0.81 PDE4C (0.42) CYP1A1CYP1B1BRD4PDE4CJAK2

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
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