SCHEMBL721370

SCHEMBL721370

Cn1cc(-c2ccnc3cc(-c4cccc(-n5cccn5)c4)oc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.38
AURKB Q96GD4 3/20 0.37
AURKA O14965 2/20 0.37
INCENP Q9NQS7 2/20 0.37
TPX2 Q9ULW0 2/20 0.37
KCNH2 Q12809 2/20 0.35
HTR2B P41595 1/20 0.35
MTNR1A P48039 1/20 0.35
IRAK1 P51617 8/20 0.35
IRAK4 Q9NWZ3 4/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
FGFR1 P11362 1/20 0.34
MAP3K7 O43318 1/20 0.34
KDR P35968 1/20 0.34
TAB1 Q15750 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 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
SCHEMBL10268949 0.82 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL721974 0.82 MAP3K7 (0.44) AURKBAURKAINCENPTPX2IRAK1
SCHEMBL16817218 0.82 AURKA (0.40) GRM4AURKBAURKAINCENPTPX2
SCHEMBL725386 0.81 PFKFB3 (0.39) AURKBAURKAINCENPTPX2IRAK1
SCHEMBL721430 0.80 AURKB (0.46) AURKBAURKAINCENPTPX2IRAK1
SCHEMBL724751 0.79 MAP3K7 (0.47) AURKBAURKAINCENPTPX2KCNH2
SCHEMBL723490 0.79 IRAK1 (0.38) AURKBAURKAINCENPTPX2IRAK1
SCHEMBL10267292 0.79 FYN (0.48) AURKBAURKAINCENPTPX2IRAK1
SCHEMBL12503592 0.78 MAP3K7 (0.49) AURKBIRAK4FGFR1MAP3K7KDR
SCHEMBL722397 0.78 AURKB (0.44) AURKBAURKAINCENPTPX2IRAK4

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
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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed