SCHEMBL31111482

SCHEMBL31111482

CC(C)(C)OC(=O)N1CCC2(CCC(c3nc(-c4cccc(N)c4F)c(-c4ccnc(Cl)n4)s3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.41
BRAF P15056 7/20 0.41
CCNT1 O60563 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC1 Q13547 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 2/20 0.34
PLK4 O00444 1/20 0.34
EPHB6 O15197 1/20 0.34
RIPK2 O43353 1/20 0.34
ULK1 O75385 1/20 0.34
ERN1 O75460 1/20 0.34
PRKD3 O94806 1/20 0.34
ABL1 P00519 1/20 0.34
KRAS P01116 1/20 0.34

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
SCHEMBL31111762 0.94 NR1I2 (0.40) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL1127220 0.93 NR1I2 (0.45) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL31111746 0.89 NR1I2 (0.43) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL31111631 0.87 NR1I2 (0.39) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL1127226 0.85 SMARCA2 (0.37) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL31111678 0.85 NR1I2 (0.46) NR1I2BRAFJAK2PLK4EPHB6
SCHEMBL31111938 0.84 NR1I2 (0.42) NR1I2BRAFCCNT1HDAC2HDAC1
SCHEMBL31112042 0.83 ALOX5AP (0.40) NR1I2BRAFCCNT1ALOX5APFEN1
SCHEMBL31112051 0.82 JAK3 (0.45) NR1I2BRAFCCNT1GPR119JAK2
SCHEMBL1127223 0.80 NR1I2 (0.43) NR1I2BRAF

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-2024227104-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BRAF VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed