SCHEMBL21208249

SCHEMBL21208249

C=C(N)/C=C(/C)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
TAS2R38 P59533 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL20119854 0.80
SCHEMBL18850230 0.78 CRBN (0.36) CRBNTAS2R38
SCHEMBL21208236 0.76 CRBN (0.35) CRBNTAS2R38
SCHEMBL11019175 0.75 CRBN (0.50) CRBNTAS2R38TDP1LMNAALOX15
SCHEMBL21210763 0.73 CRBN (0.32) CRBNTAS2R38
SCHEMBL14543081 0.72
SCHEMBL3506421 0.72 CRBN (0.39) CRBNTAS2R38
SCHEMBL4378123 0.72 CRBN (0.39) CRBNTAS2R38
SCHEMBL3506422 0.72 CRBN (0.39) CRBNTAS2R38
SCHEMBL13788471 0.71

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019148132-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed
WO-2019148136-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 WO disclosed