SCHEMBL19752329

SCHEMBL19752329

N=C1c2ccc(CNC(=O)NC3CCN(Cc4ccccc4)CC3)cc2CN1C1CCC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.54
DDB1 Q16531 3/20 0.54
GSPT1 P15170 2/20 0.54
IKZF3 Q9UKT9 1/20 0.54
DRD4 P21917 1/20 0.54
IKZF1 Q13422 5/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
IKZF2 Q9UKS7 8/20 0.47
MCHR1 Q99705 2/20 0.47
CSNK1A1 P48729 1/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL61737 0.92 CRBN (0.62) CRBNDDB1GSPT1IKZF3DRD4
SCHEMBL25242491 0.81 IKZF1 (0.63) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL13363701 0.79 CRBN (0.59) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL4455248 0.78 CRBN (0.64) CRBNDDB1GSPT1IKZF3CYP2C19
SCHEMBL12965232 0.78 CRBN (0.62) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL25280863 0.78 IKZF1 (0.61) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL25280864 0.78 IKZF1 (0.61) CRBNDDB1GSPT1IKZF3IKZF1
SCHEMBL68717 0.78 CRBN (0.63) CRBNDDB1GSPT1IKZF3CYP2C19
SCHEMBL61287 0.77 CRBN (0.65) CRBNDDB1GSPT1IKZF3CYP2C19
Hydrochloric Acid SCHEMBL62814 0.77 CRBN (0.62) CRBNDDB1GSPT1IKZF3CYP2C19

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-2985281-B1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORP (US) 2017-12-27 EP disclosed