SCHEMBL13547730

SCHEMBL13547730

Cc1ccc2c(=O)c(-c3cccc(-c4cn5ccnc5c(N)n4)c3CO)c[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHB4 P54760 5/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
EIF2AK2 P19525 1/20 0.31
HTR2A P28223 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TNKS O95271 1/20 0.31

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
SCHEMBL13531801 0.78 BTK (0.40) EPHB4TNKSKDRAURKA
SCHEMBL13531799 0.69 BTK (0.39) EPHB4TNKSKDRAURKA
SCHEMBL14878017 0.68 BTK (0.33) EPHB4AURKA
SCHEMBL13547714 0.63 BTK (0.49) EPHB4
SCHEMBL13512878 0.61 NR4A2 (0.39) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL23175317 0.58 GSK3B (0.71) MEN1KMT2A
SCHEMBL29488164 0.58 GSK3B (0.71) MEN1KMT2A
SCHEMBL5408059 0.58 ADORA1 (0.68) KMT2AADORA2AALDH1A1RAB9AKDM4E
SCHEMBL24096630 0.57 MAPT (0.59) MEN1KMT2AEPHB4ALDH1A1RAB9A
SCHEMBL15688262 0.56 NUDT1 (0.55) ADORA2AALDH1A1L3MBTL1TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010006970-A1 NOVEL PHENYLIMIDAZOPYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed