SCHEMBL6414867

SCHEMBL6414867

O=C(O)c1ccc(-c2ccc(C=NNc3nc4nonc4nc3Nc3ccc(F)c(Cl)c3)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.54
KDM4E B2RXH2 10/20 0.51
GAA P10253 8/20 0.51
MAPT P10636 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 4/20 0.51
HSP90AA1 P07900 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
MCL1 Q07820 2/20 0.50
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
RECQL P46063 1/20 0.47
RCE1 Q9Y256 1/20 0.47
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL6414866 1.00 BIRC5 (0.54) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6414735 0.93 BIRC5 (0.57) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6414740 0.93 BIRC5 (0.57) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6415955 0.91 BIRC5 (0.67) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6415953 0.91 BIRC5 (0.67) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6413614 0.91 MAPT (0.46) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6413618 0.91 MAPT (0.46) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6432249 0.90 KDM4E (0.61) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6414677 0.90 BIRC5 (0.51) BIRC5KDM4EGAAMAPTNPC1
SCHEMBL6414682 0.90 BIRC5 (0.51) BIRC5KDM4EGAAMAPTNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP disclosed