SCHEMBL5212419

SCHEMBL5212419

CC(=O)c1scc(Br)c1Br.CC1(C)C(=O)N(I)C(=O)N1CCNc1nccc(-c2scc(Br)c2-c2ccccc2)n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.32
BRAF P15056 15/20 0.32
CDK2 P24941 1/20 0.32
CLK1 P49759 1/20 0.32
PIK3CA P42336 1/20 0.32
EIF2AK2 P19525 1/20 0.31
FLT3 P36888 2/20 0.31
ERN1 O75460 1/20 0.31
ABL1 P00519 1/20 0.31
FGFR1 P11362 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
NTRK2 Q16620 1/20 0.31
HIPK1 Q86Z02 1/20 0.31
MAP3K20 Q9NYL2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL2984010 0.78 EIF2AK2 (0.39) RAF1BRAFCDK2CLK1PIK3CA
SCHEMBL5147388 0.77 ALDH1A1 (0.41) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL3167891 0.71 EIF2AK2 (0.35) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL2986650 0.69 CDK2 (0.37) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL5148871 0.68 ALDH1A1 (0.40) CDK2CLK1NPC1RAB9A
SCHEMBL2978487 0.68 EIF2AK2 (0.37) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL5147284 0.67 ALDH1A1 (0.36) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL2982460 0.63 EIF2AK2 (0.38) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL3071448 0.62 CDK2 (0.35) RAF1BRAFCDK2CLK1EIF2AK2
SCHEMBL2971966 0.62 EIF2AK2 (0.38) RAF1BRAFEIF2AK2FLT3ERN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed