SCHEMBL5145972

SCHEMBL5145972

CC1(C)NC(=O)N(CCNc2ncc(-c3cccc(O)c3)c(-c3ccc(S(=O)(=O)c4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.39
BRAF P15056 13/20 0.39
MAPK14 Q16539 5/20 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 2/20 0.37
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 2/20 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
SCHEMBL5148381 0.94 BRAF (0.39) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2979550 0.88 RAF1 (0.37) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL5147485 0.84 RAF1 (0.39) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL5149061 0.84 PLA2G7 (0.38) PTGS2PLA2G7ALDH1A1
SCHEMBL5147455 0.83 PLA2G7 (0.37) PTGS2PLA2G7ALDH1A1
SCHEMBL2975947 0.82 BRAF (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2987614 0.82 ADORA1 (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL2985533 0.81 ADORA1 (0.36) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL27708078 0.81 RAF1 (0.35) RAF1BRAFMAPK14MAPK8ERN1
SCHEMBL5145984 0.81 PLA2G7 (0.41) RAF1BRAFMAPK14MAPK8ERN1

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 4 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 claimed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO claimed
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