SCHEMBL29348771

SCHEMBL29348771

Cn1ccc(COc2ccc(-c3cccc(C4CCC(=O)NC4O)c3Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
CD274 Q9NZQ7 5/20 0.40
PDCD1 Q15116 1/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.36
ALOX5AP P20292 10/20 0.34
GRM2 Q14416 1/20 0.34
JAK1 P23458 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL29348770 1.00 JAK2 (0.44) JAK2CD274PDCD1PDCD1LG2ALOX5AP
SCHEMBL29348376 0.85 JAK2 (0.39) JAK2CD274PDCD1ALOX5APGRM2
SCHEMBL29348725 0.85 JAK2 (0.41) JAK2CD274PDCD1ALOX5AP
SCHEMBL29348437 0.83 CRBN (0.46) JAK2CD274PDCD1PDCD1LG2
SCHEMBL31068149 0.83 CRBN (0.46) JAK2CD274PDCD1PDCD1LG2
SCHEMBL31068109 0.83 CRBN (0.46) JAK2CD274PDCD1PDCD1LG2
SCHEMBL29348439 0.83 CRBN (0.46) JAK2CD274PDCD1PDCD1LG2
SCHEMBL29348386 0.83 CRBN (0.46) JAK2CD274PDCD1PDCD1LG2
SCHEMBL31068294 0.76 DDB1 (0.43) JAK2CD274PDCD1ALOX5APGRM2
SCHEMBL29348475 0.76 DDB1 (0.43) JAK2CD274PDCD1ALOX5APGRM2

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-2024151547-A1 TARGETED DEGRADATION OF VAV1 MONTE ROSA THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed