SCHEMBL5147344

SCHEMBL5147344

O=C1NCCN1CCNc1nccc(-c2ccc(S(=O)(=O)C3CCc4cc(Br)ccc4N3)s2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.42
RAF1 P04049 4/20 0.39
FPR3 P25089 4/20 0.32
FPR2 P25090 4/20 0.32
CCKBR P32239 1/20 0.31
SLC8A1 P32418 2/20 0.31
ALDH1A1 P00352 1/20 0.31
IKBKB O14920 3/20 0.31
F10 P00742 1/20 0.30
SCN9A Q15858 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
SCHEMBL5147375 0.90 BRAF (0.41) BRAFRAF1SLC8A1IKBKBF10
SCHEMBL5148397 0.90 BRAF (0.43) BRAFRAF1SLC8A1ALDH1A1IKBKB
SCHEMBL5147464 0.81 BRAF (0.35) BRAFRAF1SLC8A1ALDH1A1SCN9A
SCHEMBL2980490 0.79 BRAF (0.40) BRAFRAF1CCKBRSCN9A
SCHEMBL2984723 0.77 BRAF (0.47) BRAFRAF1ALDH1A1IKBKBSCN9A
SCHEMBL2988854 0.75 BRAF (0.45) BRAFRAF1ALDH1A1IKBKBSCN9A
SCHEMBL2984512 0.75 BRAF (0.46) BRAFRAF1ALDH1A1SCN9A
SCHEMBL2978240 0.75 BRAF (0.46) BRAFRAF1ALDH1A1IKBKB
SCHEMBL2982070 0.75 BRAF (0.46) BRAFRAF1ALDH1A1IKBKB
SCHEMBL2984342 0.74 BRAF (0.50) BRAFRAF1FPR3FPR2ALDH1A1

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