SCHEMBL723070

SCHEMBL723070

COc1cc(-c2cc3nccc(-c4cc(C(=O)O)ccc4C)c3o2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NEK2 P51955 2/20 0.39
PDE4C Q08493 1/20 0.39
BRD4 O60885 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMO O15229 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL724404 0.92 KDM4C (0.42) PTPN1KDM4CPOLBCASP6L3MBTL1
SCHEMBL722753 0.88 NEK2 (0.47) POLBCASP6L3MBTL1NEK2PDE4C
SCHEMBL722851 0.85 PDE4C (0.46) PDE4CPTGESALOX5FYN
SCHEMBL722941 0.83 CYP1A1 (0.40) PDE4CBRD4ALDH1A1CYP3A4CYP1A1
SCHEMBL725317 0.83 FYN (0.45) PDE4CBRD4ALDH1A1CYP3A4CYP1A1
SCHEMBL15209172 0.82 FYN (0.39) BRD4FYN
SCHEMBL10268115 0.82 PDE4C (0.45) NEK2PDE4CBRD4ALDH1A1CYP3A4
SCHEMBL724141 0.82 PDE4C (0.48) PDE4CBRD4ALDH1A1CYP1A1CYP1B1
SCHEMBL721518 0.81 PDE4C (0.43) PDE4CBRD4ALDH1A1CYP3A4CYP1A1
SCHEMBL723093 0.80 PDE4C (0.55) L3MBTL1PDE4CBRD4ALDH1A1CYP3A4

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 10 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
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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