SCHEMBL24376424

SCHEMBL24376424

CC(C)(C)OC(=O)NCc1ccc2c(N)[nH]nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.46
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
CYP1A2 P05177 1/20 0.42
PARP1 P09874 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
KDM4A O75164 1/20 0.41
NAMPT P43490 2/20 0.41
GLS O94925 3/20 0.41
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL22511718 0.79 GRM2 (0.57) GRM2L3MBTL1KDM4ANAMPTGLS
SCHEMBL12124009 0.76 CYP1A2 (0.47) GRM2L3MBTL1PRMT5WDR77CYP1A2
SCHEMBL7447720 0.76 GRM2 (0.49) GRM2L3MBTL1CYP1A2KDM4ANAMPT
SCHEMBL27757355 0.75 L3MBTL1 (0.47) GRM2L3MBTL1PRMT5WDR77CYP1A2
SCHEMBL7407052 0.75 HDAC1 (0.48) GRM2L3MBTL1KDM4ANAMPTGLS
SCHEMBL16392318 0.74 HDAC1 (0.47) GRM2L3MBTL1KDM4ANAMPTGLS
SCHEMBL3180689 0.74 L3MBTL1 (0.61) L3MBTL1KDM4ANAMPTMAPTTDP1
SCHEMBL16246730 0.74 KLKB1 (0.52) GRM2
SCHEMBL30386922 0.74 GRM2 (0.47) GRM2L3MBTL1CYP1A2NAMPTHDAC1
SCHEMBL25054189 0.74 GRM2 (0.47) GRM2L3MBTL1CYP1A2NAMPTHDAC1

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-3122344-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2022-04-27 EP disclosed