SCHEMBL5147375

SCHEMBL5147375

COc1ccc2c(c1)CCC(S(=O)(=O)c1ccc(-c3ccnc(NCCN4CCNC4=O)n3)s1)N2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.41
RAF1 P04049 6/20 0.38
HPGDS O60760 1/20 0.38
SLC8A1 P32418 4/20 0.37
F10 P00742 1/20 0.36
HTR2A P28223 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
SCN9A Q15858 2/20 0.34
NMT1 P30419 1/20 0.34
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL5147344 0.90 BRAF (0.42) BRAFRAF1SLC8A1F10IKBKB
SCHEMBL5148397 0.88 BRAF (0.43) BRAFRAF1SLC8A1IKBKBSCN9A
SCHEMBL2985600 0.80 MEN1 (0.42) BRAFRAF1HPGDSHTR2A
SCHEMBL2988386 0.77 SCN9A (0.44) BRAFRAF1HPGDSMKNK1IKBKB
SCHEMBL5147464 0.77 BRAF (0.35) BRAFRAF1SLC8A1SCN9A
SCHEMBL2984512 0.76 BRAF (0.46) BRAFRAF1MKNK1SCN9A
SCHEMBL2984723 0.76 BRAF (0.47) BRAFRAF1MKNK1IKBKBCHUK
SCHEMBL2977811 0.76 BRAF (0.49) BRAFRAF1HPGDSMKNK1NMT1
SCHEMBL2982070 0.75 BRAF (0.46) BRAFRAF1MKNK1IKBKBCHUK
SCHEMBL2985285 0.75 BRAF (0.48) BRAFRAF1IKBKB

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