SCHEMBL5149101

SCHEMBL5149101

CC1(C)NC(=O)N(CCNc2ncc(-c3cccc(O)c3)c(-c3cc4cnccc4s3)n2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 7/20 0.37
BRAF P15056 7/20 0.37
MAPK14 Q16539 7/20 0.35
ERN1 O75460 1/20 0.35
ABL1 P00519 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT3 P36888 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK11 Q15759 1/20 0.35
NTRK2 Q16620 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
MAP3K20 Q9NYL2 1/20 0.35
TGFBR1 P36897 8/20 0.34
ADORA1 P30542 4/20 0.34
EGFR P00533 2/20 0.34
ADORA2A P29274 1/20 0.34
KDR P35968 1/20 0.33
PLK1 P53350 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
SCHEMBL5145850 0.92 HSD17B1 (0.38) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL2972000 0.87 RAF1 (0.35) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL5179687 0.86 ADORA1 (0.37) ADORA1ADORA2A
SCHEMBL5147347 0.85 ADORA1 (0.38) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL5147476 0.85 HSD17B1 (0.39) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL5149006 0.85 ADORA1 (0.39) RAF1BRAFMAPK14ERN1ABL1
SCHEMBL5147360 0.83 CYP2A6 (0.35) MAPK14TGFBR1
SCHEMBL5148362 0.81 CDK2 (0.39) MAPK14TGFBR1
SCHEMBL5147280 0.79 BRAF (0.37) RAF1BRAFABL1FLT3ADORA1
SCHEMBL5145972 0.79 RAF1 (0.39) RAF1BRAFMAPK14ERN1ABL1

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