SCHEMBL5550503

SCHEMBL5550503

CC(C)(C)OC(=O)C1NCC(C)(C)C2=CCC(NC(=O)c3cccnc3NCc3ccc4c(c3)CCO4)=CC21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.38
RPS6KB1 P23443 2/20 0.38
KDR P35968 6/20 0.38
CIT O14578 1/20 0.37
MAP3K7 O43318 1/20 0.37
RIPK2 O43353 1/20 0.37
STK10 O94804 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
RAF1 P04049 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
YES1 P07947 1/20 0.37
LYN P07948 1/20 0.37
RET P07949 1/20 0.37
HCK P08631 1/20 0.37
PDGFRB P09619 1/20 0.37
FGR P09769 1/20 0.37

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
SCHEMBL5550505 0.82 KDR (0.41) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL446028 0.79 KDR (0.49) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL428190 0.71 KDR (0.56) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL428299 0.71 KDR (0.45) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL428215 0.70 KDR (0.56) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL446007 0.69 KDR (0.40) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL27568457 0.69 KDR (0.41) AURKARPS6KB1KDRCITMAP3K7
SCHEMBL428281 0.68 MAPT (0.65) AURKARPS6KB1KDRABL1EGFR
SCHEMBL3141548 0.68 KDR (0.47) AURKARPS6KB1KDRFLT1AURKB
SCHEMBL447437 0.67 KDR (0.51) AURKARPS6KB1KDRCITMAP3K7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed