SCHEMBL20530355

SCHEMBL20530355

CC(C)NC(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 3/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA2B P29275 2/20 0.38
ADORA1 P30542 2/20 0.38
MET P08581 1/20 0.37
GRM1 Q13255 1/20 0.37
MTOR P42345 1/20 0.37
BACE1 P56817 1/20 0.37
TAS1R3 Q7RTX0 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
SCHEMBL20530341 0.90 HDAC6 (0.43) RIPK1TP53HDAC6MKNK1MKNK2
SCHEMBL20530361 0.87 MET (0.40) POLBMET
SCHEMBL20530352 0.86 HDAC6 (0.41) LMNAHDAC6MKNK1MKNK2MAPT
SCHEMBL22729929 0.85 HDAC6 (0.39) HDAC6MAPTKDM4EPOLBALDH1A1
SCHEMBL20530354 0.85 AR (0.39) RIPK1HDAC6MKNK1MKNK2MAPT
SCHEMBL20530297 0.85 MKNK1 (0.46) TP53MKNK1MKNK2KDM4EMTOR
SCHEMBL1331123 0.84 MET (0.51) MET
SCHEMBL20530324 0.83 L3MBTL1 (0.52) TP53MKNK1MKNK2MAPTKDM4E
SCHEMBL20530293 0.83 TP53 (0.48) TP53MAPTKMT2A
SCHEMBL20530364 0.82 MAP4K4 (0.47) HDAC6KMT2AADORA3MET

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