SCHEMBL31111557

SCHEMBL31111557

Cc1nc(-c2cccc(N)c2F)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.41
CDK4 P11802 8/20 0.41
CCNE1 P24864 1/20 0.41
BRAF P15056 10/20 0.39
NR1I2 O75469 6/20 0.39
CDK1 P06493 2/20 0.39
PLK4 O00444 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
JAK2 O60674 1/20 0.39
ULK1 O75385 1/20 0.39
ERN1 O75460 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
KRAS P01116 1/20 0.39
RAF1 P04049 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
YES1 P07947 1/20 0.39
LYN P07948 1/20 0.39

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
SCHEMBL31111620 0.87 BRAF (0.38) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL1126914 0.85 BRAF (0.46) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL31112031 0.85 BRAF (0.54) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL1127106 0.85 BRAF (0.54) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL16266409 0.83 BRAF (0.40) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL1872470 0.81 BRAF (0.44) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL31111793 0.81 KMO (0.33) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL3879464 0.80 BRAF (0.46) CDK2CDK4BRAFNR1I2CDK1
SCHEMBL1127200 0.79 BRAF (0.43) BRAFNR1I2
SCHEMBL22145980 0.79 NQO2 (0.37) CDK2CDK4BRAFNR1I2CDK1

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