SCHEMBL20797705

SCHEMBL20797705

CCN(c1ncccc1C=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
LATS1 O95835 3/20 0.35
LATS2 Q9NRM7 3/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
IDO1 P14902 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL2215225 0.75 TRIM24 (0.42) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL29954331 0.74 TRIM24 (0.52) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL12253115 0.74 TRIM24 (0.52) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL832535 0.72 TRIM24 (0.42) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL16570096 0.71 TRIM24 (0.44) TRIM24TRIM33KMT2AL3MBTL1NPC1
SCHEMBL14817464 0.71 TRIM24 (0.41) TRIM24TRIM33AGTR1AGTR2KMT2A
SCHEMBL12873564 0.69 TAAR1 (0.36) LATS1LATS2KMT2AL3MBTL1MEN1
SCHEMBL3902421 0.69 FFAR2 (0.39) TRIM24TRIM33AGTR1AGTR2ALDH1A1
SCHEMBL2557955 0.69 TRIM24 (0.53) TRIM24TRIM33KMT2AALDH1A1L3MBTL1
SCHEMBL9768756 0.67 TRIM24 (0.52) TRIM24TRIM33KMT2AALDH1A1L3MBTL1

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-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed