SCHEMBL29348407

SCHEMBL29348407

Cn1ccc(Cc2ccc(-c3cccc(C4CCC(O)NC4=O)c3Cl)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ROCK2 O75116 1/20 0.31
JAK2 O60674 1/20 0.31
NR1I2 O75469 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL29348423 0.92 NR1I2 (0.35) PDCD1CD274ROCK2JAK2NR1I2
SCHEMBL31068244 0.84 CRBN (0.47) PDCD1CD274
SCHEMBL29348744 0.84 CRBN (0.47) PDCD1CD274
SCHEMBL29348382 0.77 JAK2 (0.43) JAK2GRM2
SCHEMBL31068309 0.76 DDB1 (0.47) PDCD1CD274NR1I2KCNH2GRM2
SCHEMBL29348496 0.74 DRD2 (0.32) GRM2
SCHEMBL29348204 0.74 F10 (0.37)
SCHEMBL29348405 0.73 MET (0.31)
SCHEMBL29348378 0.73 JAK2 (0.40) JAK2GRM2
SCHEMBL29348508 0.73 GRM2 (0.33) PDCD1CD274GRM2

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