SCHEMBL20530341

SCHEMBL20530341

CNC(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
MET P08581 1/20 0.42
PLK1 P53350 1/20 0.42
MKNK2 Q9HBH9 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RIPK1 Q13546 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAP4K4 O95819 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37

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
SCHEMBL20530364 0.92 MAP4K4 (0.47) HDAC6METPLK1KMT2AADORA3
SCHEMBL20530355 0.90 RIPK1 (0.43) HDAC6METMKNK2MAPTKDM4E
SCHEMBL20530352 0.88 HDAC6 (0.41) HDAC6MKNK2MAPTKDM4EALDH1A1
SCHEMBL20530354 0.88 AR (0.39) HDAC6METMKNK2MAPTKDM4E
SCHEMBL20530297 0.87 MKNK1 (0.46) MKNK2KDM4EMKNK1TP53MAP4K4
SCHEMBL20530349 0.86 MET (0.48) METADORA2AADORA1
SCHEMBL20530335 0.86 MET (0.47) METKMT2AADORA2AADORA1SLC22A12
SCHEMBL22729929 0.86 HDAC6 (0.39) HDAC6MAPTKDM4EALDH1A1POLB
SCHEMBL20530324 0.86 L3MBTL1 (0.52) MKNK2MAPTKDM4EALDH1A1MKNK1
SCHEMBL1328370 0.83 MET (0.54) METPLK1

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