SCHEMBL722573

SCHEMBL722573

COc1cc(-c2cc3nccc(-c4ccc5[nH]cnc5c4)c3o2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.46
BRD4 O60885 5/20 0.46
PDE4C Q08493 3/20 0.43
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
QPCT Q16769 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
SYK P43405 1/20 0.39
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL15210453 0.88 TERT (0.47) TERTBRD4PDE4CCYP1A1CYP1B1
SCHEMBL724918 0.84 PDE4C (0.41) BRD4PDE4CCYP1A1CYP1B1JAK2
SCHEMBL725307 0.84 PDE4C (0.54) BRD4PDE4CJAK2JAK1TYK2
SCHEMBL723093 0.84 PDE4C (0.55) BRD4PDE4CCYP1A1CYP1B1JAK2
SCHEMBL27920012 0.84 PDE4C (0.41) TERTBRD4PDE4CCYP1A1CYP1B1
SCHEMBL15209738 0.83 PDE4C (0.42) TERTBRD4PDE4CCYP1A1CYP1B1
SCHEMBL15210433 0.83 CDK4 (0.40) TERTCYP1A1CYP1B1JAK2JAK1
SCHEMBL721481 0.82 TERT (0.53) TERTBRD4PDE4CCYP1A1CYP1B1
SCHEMBL10267529 0.82 PDE4C (0.64) TERTBRD4PDE4CCYP1A1CYP1B1
SCHEMBL725426 0.82 MAOB (0.52) BRD4PDE4CCYP1A1CYP1B1JAK2

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
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed