SCHEMBL2204334

SCHEMBL2204334

NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccc(Oc3ccnc4cc(Cl)ccc34)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 16/20 0.47
MET P08581 13/20 0.47
MERTK Q12866 8/20 0.47
KDR P35968 3/20 0.44
FLT1 P17948 2/20 0.44
AURKB Q96GD4 2/20 0.44
KIT P10721 2/20 0.44
AURKA O14965 1/20 0.44
RIPK2 O43353 1/20 0.44
ABCB11 O95342 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
NTRK1 P04629 1/20 0.44
LCK P06239 1/20 0.44
PGR P06401 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
CHRM2 P08172 1/20 0.44
HCK P08631 1/20 0.44

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
SCHEMBL407596 0.92 AXL (0.53) AXLMETMERTKKDRFLT1
SCHEMBL411533 0.86 MET (0.46) AXLMETMERTKKDRKIT
SCHEMBL409973 0.81 MET (0.57) AXLMETMERTKKDRFLT1
SCHEMBL21200539 0.81 AXL (0.53) AXLMETMERTKKDRFLT1
SCHEMBL29529487 0.81 AXL (0.53) AXLMETMERTKKDRFLT1
SCHEMBL21201097 0.80 AXL (0.50) AXLMETMERTKKDRFLT1
SCHEMBL29529447 0.80 AXL (0.50) AXLMETMERTKKDRFLT1
SCHEMBL139146 0.80 MET (0.41) AXLMETMERTKKDRFLT1
SCHEMBL21200914 0.80 AXL (0.51) AXLMETMERTKKDRFLT1
SCHEMBL29529490 0.80 AXL (0.51) AXLMETMERTKKDRFLT1

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-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed