SCHEMBL31111593

SCHEMBL31111593

C=CCOC(=O)Nc1cccc(-c2nc(C(C)(C)C3CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(Cl)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.37
NR1I2 O75469 5/20 0.37
JAK2 O60674 3/20 0.37
PLK4 O00444 1/20 0.37
EPHB6 O15197 1/20 0.37
RIPK2 O43353 1/20 0.37
ULK1 O75385 1/20 0.37
ERN1 O75460 1/20 0.37
PRKD3 O94806 1/20 0.37
ABL1 P00519 1/20 0.37
KRAS P01116 1/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CDK1 P06493 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
MET P08581 1/20 0.37
HCK P08631 1/20 0.37
FGR P09769 1/20 0.37

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
SCHEMBL1127439 0.90 NR1I2 (0.46) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31111749 0.90 NR1I2 (0.46) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31112065 0.88 BRAF (0.40) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31111483 0.87 NR1I2 (0.43) BRAFNR1I2JAK2CCNT1JAK3
SCHEMBL31111764 0.86 JAK3 (0.42) BRAFNR1I2JAK2CCNT1JAK3
SCHEMBL12349962 0.86 BRAF (0.49) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31111938 0.86 NR1I2 (0.42) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL1127350 0.85 NR1I2 (0.35) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31111954 0.85 NR1I2 (0.35) BRAFNR1I2JAK2PLK4EPHB6
SCHEMBL31111582 0.84 BRAF (0.44) BRAFNR1I2JAK2PLK4EPHB6

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