SCHEMBL6437056

SCHEMBL6437056

Cc1ccc(C)c(Nc2nc3nonc3nc2N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.55
MAPT P10636 13/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
POLB P06746 5/20 0.46
RAB9A P51151 5/20 0.46
GAA P10253 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
NPC1 O15118 3/20 0.46
HPGD P15428 2/20 0.46
THRB P10828 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6437058 1.00 BIRC5 (0.55) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL3051653 0.88 BIRC5 (0.49) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL3051656 0.88 BIRC5 (0.49) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL8265974 0.77 BIRC5 (0.71) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL6420773 0.74 BIRC5 (0.57) BIRC5MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6416003 0.73 MEN1 (0.61) BIRC5MAPTMEN1KMT2AKDM4E
SCHEMBL6414842 0.71 BIRC5 (1.00) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL29650064 0.71 BIRC5 (1.00) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL6414850 0.71 BIRC5 (1.00) BIRC5MAPTSMN1; SMN2TP53MEN1
SCHEMBL8265009 0.71 BIRC5 (0.78) BIRC5MAPTSMN1; SMN2TP53MEN1

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