SCHEMBL5147464

SCHEMBL5147464

O=C1NCCN1CCNc1ncc(Br)c(-c2ccc(S(=O)(=O)C3CCc4ccccc4N3)s2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.35
SCN9A Q15858 1/20 0.34
RAF1 P04049 3/20 0.34
SLC8A1 P32418 4/20 0.32
ALDH1A1 P00352 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ENPP2 Q13822 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
SCHEMBL5148397 0.88 BRAF (0.43) BRAFSCN9ARAF1SLC8A1ALDH1A1
SCHEMBL2974375 0.82 SCN9A (0.41) BRAFSCN9ARAF1ALDH1A1ADORA2A
SCHEMBL5147344 0.81 BRAF (0.42) BRAFSCN9ARAF1SLC8A1ALDH1A1
SCHEMBL2981786 0.80 TSHR (0.37) SCN9AALDH1A1
SCHEMBL2975829 0.78 ALDH1A1 (0.46) BRAFSCN9ARAF1ALDH1A1ADORA2A
SCHEMBL2975039 0.78 RECQL (0.38) BRAFSCN9ARAF1ALDH1A1ADORA2A
SCHEMBL5147375 0.77 BRAF (0.41) BRAFSCN9ARAF1SLC8A1
SCHEMBL2988370 0.75 BRAF (0.41) BRAFSCN9ARAF1ALDH1A1ADORA2A
SCHEMBL2985538 0.73 SCN9A (0.42) BRAFSCN9ARAF1ALDH1A1ADORA2A
SCHEMBL2984336 0.73 MEN1 (0.42) BRAFSCN9ARAF1ALDH1A1ADORA2A

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