SCHEMBL25438587

SCHEMBL25438587

O=C(O)NCCCCCCCCCNC(=O)c1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 14/20 0.60
CSNK1A1 P48729 4/20 0.60
DDB1 Q16531 3/20 0.52
GSPT1 P15170 2/20 0.51
IKZF3 Q9UKT9 1/20 0.51
CYP2C19 P33261 1/20 0.50
KCNH2 Q12809 1/20 0.50
IKZF1 Q13422 1/20 0.50
IKZF2 Q9UKS7 7/20 0.49

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
SCHEMBL25473074 0.92 CRBN (0.57) CRBNCSNK1A1DDB1GSPT1IKZF3
Hydrochloric Acid SCHEMBL25416240 0.91 CRBN (0.56) CRBNCSNK1A1DDB1GSPT1IKZF3
Hydrochloric Acid SCHEMBL25167470 0.91 CRBN (0.56) CRBNCSNK1A1DDB1GSPT1IKZF3
SCHEMBL25438539 0.88 CRBN (0.53) CRBNCSNK1A1DDB1GSPT1IKZF3
SCHEMBL30400916 0.87 CRBN (0.55) CRBNCSNK1A1DDB1GSPT1IKZF3
SCHEMBL30400720 0.87 CRBN (0.55) CRBNCSNK1A1DDB1GSPT1IKZF3
SCHEMBL20188342 0.84 CRBN (0.72) CRBNDDB1IKZF3
SCHEMBL17839575 0.84 CRBN (0.72) CRBNDDB1IKZF3
SCHEMBL25167474 0.83 CRBN (0.60) CRBNCSNK1A1DDB1GSPT1IKZF3
SCHEMBL26614440 0.82 CRBN (0.72) CRBNCSNK1A1DDB1GSPT1IKZF3

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-2023081759-A1 BIFUNCTIONAL PI3K-ALPHA INHIBITORS AND USES THEREOF RELAY THERAPEUTICS, INC. (US) 2023-05-11 WO disclosed