SCHEMBL20530352

SCHEMBL20530352

O=C(NCCO)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.41
MAP4K4 O95819 2/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TET3 O43151 1/20 0.38
TET2 Q6N021 1/20 0.38
TET1 Q8NFU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ATR Q13535 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
FYN P06241 4/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL20530324 0.90 L3MBTL1 (0.52) MAP4K4KDM4EALDH1A1MAPTTET3
SCHEMBL20530297 0.90 MKNK1 (0.46) MAP4K4KDM4ETET3TET2TET1
SCHEMBL20530341 0.88 HDAC6 (0.43) HDAC6MAP4K4KDM4EALDH1A1MAPT
SCHEMBL20530293 0.88 TP53 (0.48) MAP4K4MAPTATRMEN1KMT2A
SCHEMBL22729929 0.87 HDAC6 (0.39) HDAC6KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL20530355 0.86 RIPK1 (0.43) HDAC6KDM4EALDH1A1MAPTMKNK1
SCHEMBL20530354 0.85 AR (0.39) HDAC6MAP4K4KDM4EALDH1A1MAPT
SCHEMBL1330112 0.84 MET (0.53)
SCHEMBL20530339 0.84 ATR (0.41) HDAC6MKNK1MKNK2ATR
SCHEMBL20530329 0.83 MKNK1 (0.40) HDAC6ALDH1A1MKNK1MKNK2MEN1

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
EP-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP claimed