SCHEMBL721430

SCHEMBL721430

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.46
AURKA O14965 3/20 0.46
INCENP Q9NQS7 3/20 0.46
TPX2 Q9ULW0 3/20 0.46
MAP3K7 O43318 2/20 0.46
TAB1 Q15750 2/20 0.46
SSTR2 P30874 1/20 0.41
IRAK1 P51617 7/20 0.38
IRAK4 Q9NWZ3 4/20 0.38
PDK2 Q15119 1/20 0.38
MTOR P42345 1/20 0.38
TGFBR1 P36897 1/20 0.37
ROCK2 O75116 1/20 0.37
FYN P06241 1/20 0.37
BTK Q06187 1/20 0.36

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
SCHEMBL726778 0.88 AURKB (0.44) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL10268949 0.84 AURKB (0.46) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL721974 0.84 MAP3K7 (0.44) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL723557 0.83 GRM4 (0.48) AURKBAURKAINCENPTPX2
SCHEMBL10267292 0.82 FYN (0.48) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL723490 0.82 IRAK1 (0.38) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL725386 0.82 PFKFB3 (0.39) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL12503592 0.82 MAP3K7 (0.49) AURKBMAP3K7TAB1IRAK4FYN
SCHEMBL724763 0.81 IRAK1 (0.41) AURKBAURKAINCENPTPX2MAP3K7
SCHEMBL724751 0.80 MAP3K7 (0.47) 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 4 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