SCHEMBL16606187

SCHEMBL16606187

CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCOCC4)c(OC)cc23)c(F)c1.COc1cc2c(Oc3ccc(NC(=O)c4cc(C)n(C)n4)cc3F)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.73
AXL P30530 3/20 0.73
AURKA O14965 2/20 0.73
ABL1 P00519 2/20 0.73
LCK P06239 2/20 0.73
SRC P12931 2/20 0.73
FER P16591 2/20 0.73
CDK8 P49336 2/20 0.73
TYRO3 Q06418 2/20 0.73
MERTK Q12866 2/20 0.73
MAP2K5 Q13163 2/20 0.73
AURKB Q96GD4 2/20 0.73
FLT3 P36888 4/20 0.61
PDGFRB P09619 2/20 0.60
KIT P10721 2/20 0.60
KDR P35968 2/20 0.60
PLK4 O00444 1/20 0.60
STK25 O00506 1/20 0.60
CIT O14578 1/20 0.60
CHUK O15111 1/20 0.60

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
SCHEMBL167615 0.96 MET (0.80) METAXLAURKAABL1LCK
SCHEMBL703248 0.91 MET (0.70) METAXLAURKAABL1LCK
SCHEMBL168548 0.90 MET (0.82) METAXLAURKAABL1LCK
SCHEMBL697226 0.90 MET (0.70) METAXLAURKAABL1LCK
SCHEMBL697732 0.90 MET (0.81) METAXLAURKAABL1LCK
SCHEMBL166912 0.88 MET (0.75) METAXLAURKAABL1LCK
SCHEMBL698578 0.86 MET (0.90) METAXLAURKAABL1LCK
SCHEMBL30471302 0.86 MET (1.00) METAXLAURKAABL1LCK
SCHEMBL29393648 0.86 MET (1.00) METAXLAURKAABL1LCK
SCHEMBL167963 0.86 MET (1.00) METAXLAURKAABL1LCK

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
US-8999982-B2 Pharmaceutically active compounds as Axl inhibitors LEAD DISCOVERY CENTER GMBH (DE) 2015-04-07 US claimed