SCHEMBL29348378

SCHEMBL29348378

Cn1ccc(COc2ccc(-c3ccc(Cl)c(C4CCC(O)NC4=O)c3Cl)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
GRM2 Q14416 1/20 0.35
PDE10A Q9Y233 1/20 0.34
ALOX5AP P20292 15/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CYP19A1 P11511 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
SCHEMBL31068277 0.85 CRBN (0.46) JAK2GRM2PDE10A
SCHEMBL29348385 0.83 ALOX5AP (0.38) JAK2GRM2ALOX5AP
SCHEMBL29348382 0.79 JAK2 (0.43) JAK2GRM2PDE10AALOX5AP
SCHEMBL29348377 0.77 CRBN (0.44) JAK2GRM2PDE10AALOX5AP
SCHEMBL31068187 0.77 CRBN (0.44) JAK2GRM2PDE10AALOX5AP
SCHEMBL29348717 0.77 CRBN (0.44) JAK2GRM2PDE10AALOX5AP
SCHEMBL29348376 0.76 JAK2 (0.39) JAK2GRM2PDE10AALOX5APHDAC1
SCHEMBL29348407 0.73 PDCD1 (0.33) JAK2GRM2
SCHEMBL29348423 0.73 NR1I2 (0.35) JAK2GRM2
SCHEMBL29348770 0.72 JAK2 (0.44) JAK2GRM2ALOX5APHDAC1HDAC6

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