SCHEMBL26050283

SCHEMBL26050283

CC(C)c1ccnc(NC(=O)C2(C)CCN(C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.39
PDPK1 O15530 1/20 0.39
GSK3B P49841 2/20 0.39
WNT1 P04628 1/20 0.39
CBLB Q13191 2/20 0.38
NR3C2 P08235 1/20 0.38
BUB1 O43683 2/20 0.38
SYK P43405 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR1F P30939 1/20 0.37
BRAF P15056 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.36
MAP3K12 Q12852 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
ABL1 P00519 1/20 0.35

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
SCHEMBL20069615 0.78 ALDH1A1 (0.52) PDPK1ALDH1A1
SCHEMBL25605210 0.76 ALDH1A1 (0.40) NR3C2ALDH1A1LMNABRAF
SCHEMBL26354202 0.76 KDM4E (0.54) DYRK1AGSK3BWNT1ALDH1A1
SCHEMBL20069622 0.73 RAB9A (0.54) ALDH1A1LMNA
SCHEMBL84076 0.72 L3MBTL1 (0.52) BRAFPIK3C3MAPKAPK2
SCHEMBL25605223 0.72 ALDH1A1 (0.62) ALDH1A1LMNA
SCHEMBL20889610 0.71 NR3C2 (0.57) NR3C2
SCHEMBL15627415 0.71 TYK2 (0.52) GSK3BALDH1A1LMNABRAF
SCHEMBL10199545 0.71 BRAF (0.61) GSK3BBRAFPIK3C3ABL1
SCHEMBL12230269 0.70 GCK (0.54) NR3C2ALDH1A1BRAFABL1

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-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed