SCHEMBL23939137

SCHEMBL23939137

C=C1NC(=O)CCC1N1Cc2c(CCc3cccc(NC)c3F)cccc2C1=C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 16/20 0.42
IKZF1 Q13422 3/20 0.42
CSNK1A1 P48729 1/20 0.42
DDB1 Q16531 7/20 0.37
IKZF3 Q9UKT9 3/20 0.37
BRD4 O60885 2/20 0.37
TNF P01375 1/20 0.37
IL1B P01584 1/20 0.37
IKZF2 Q9UKS7 2/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL19504239 0.85 CRBN (0.45) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL19504240 0.76 CRBN (0.53) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL14275306 0.75 CRBN (0.55) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL25036572 0.74 CRBN (0.43) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL19630886 0.74 CRBN (0.41) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL17724241 0.73 CRBN (0.58) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL17724243 0.73 CRBN (0.58) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL17724217 0.73 CRBN (0.58) CRBNIKZF1CSNK1A1DDB1IKZF3
SCHEMBL19503553 0.73 CRBN (0.47) CRBNIKZF1DDB1IKZF3BRD4
SCHEMBL17724040 0.71 CRBN (0.66) CRBNIKZF1CSNK1A1DDB1IKZF3

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-3643709-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-20 EP disclosed