SCHEMBL5148381

SCHEMBL5148381

CC1(C)NC(=O)N(CCNc2ncc(-c3cccc(O)c3)c(-c3ccc(S(=O)(=O)c4cccc(F)c4)s3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.39
RAF1 P04049 9/20 0.39
MAPK14 Q16539 6/20 0.39
MAPK8 P45983 4/20 0.39
ERN1 O75460 3/20 0.39
ABL1 P00519 3/20 0.39
FGFR1 P11362 3/20 0.39
FLT3 P36888 3/20 0.39
MAPK11 Q15759 3/20 0.39
NTRK2 Q16620 3/20 0.39
HIPK1 Q86Z02 3/20 0.39
MAP3K20 Q9NYL2 3/20 0.39
PTGS2 P35354 1/20 0.32
NAMPT P43490 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL5145972 0.94 RAF1 (0.39) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL2975947 0.88 BRAF (0.36) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL5183961 0.87 BRAF (0.34) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL5147485 0.84 RAF1 (0.39) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL2979550 0.82 RAF1 (0.37) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL2987614 0.81 ADORA1 (0.36) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL27688539 0.81 BRAF (0.35) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL5145850 0.80 HSD17B1 (0.38) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL5147476 0.80 HSD17B1 (0.39) BRAFRAF1MAPK14MAPK8ERN1
SCHEMBL5147347 0.80 ADORA1 (0.38) BRAFRAF1MAPK14MAPK8ERN1

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