SCHEMBL726778

SCHEMBL726778

Cn1cc(-c2ccnc3cc(-c4ccc(CO)cc4)oc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.44
AURKA O14965 3/20 0.44
INCENP Q9NQS7 3/20 0.44
TPX2 Q9ULW0 3/20 0.44
MAP3K7 O43318 2/20 0.43
TAB1 Q15750 2/20 0.43
BTK Q06187 2/20 0.39
PDK2 Q15119 1/20 0.37
MET P08581 3/20 0.37
KDR P35968 1/20 0.37
GRM2 Q14416 2/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
ALK Q9UM73 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MTOR P42345 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
SCHEMBL721430 0.88 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL10268949 0.87 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL723447 0.86 FYN (0.38) MAP3K7TAB1MTOR
SCHEMBL722236 0.83 AURKB (0.38) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL10267304 0.83 MAP4K4 (0.43) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL725506 0.83 KCNH2 (0.43) AURKBAURKAINCENPTPX2MET
SCHEMBL15209645 0.82 CCNC (0.39) AURKBAURKAINCENPTPX2MET
SCHEMBL723385 0.81 MTOR (0.43) AURKBMAP3K7TAB1METKDR
SCHEMBL723758 0.81 DYRK1A (0.47) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL724280 0.81 AURKB (0.38) AURKBAURKAINCENPTPX2MAP3K7

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