SCHEMBL24722690

SCHEMBL24722690

Cc1cnc2c(c1)CCC(N=O)C(=O)N2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
CRBN Q96SW2 2/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
LTK P29376 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
SCHEMBL24722687 0.80 CRBN (0.34) DRD2DRD1CRBN
SCHEMBL24723535 0.80 SMYD3 (0.36) SMYD3DRD2DRD1CRBNPOLB
SCHEMBL24722688 0.78 CRBN (0.33) DRD2DRD1CRBN
SCHEMBL6368447 0.72 CRBN (0.51) CRBNCHEK1AURKADAPK3PRKD3
SCHEMBL25704837 0.72 TSHR (0.38) CRBNALDH1A1HTTDDB1
SCHEMBL6466846 0.72 NNMT (0.39) SMYD3CRBNCHEK1AURKADAPK3
SCHEMBL728499 0.71 ABL1 (0.58) SMYD3CRBNCHEK1AURKADAPK3
SCHEMBL24722682 0.70 CRBN (0.43) CRBNCHEK1AURKADAPK3PRKD3
SCHEMBL24822956 0.69 CRBN (0.31) SMYD3CRBNDDB1
SCHEMBL24722680 0.69 NNMT (0.32) SMYD3CHEK1AURKADAPK3PRKD3

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-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed