SCHEMBL167066

SCHEMBL167066

COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4OC(C)C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1.COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)cc4OCC4CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.68
KIT P10721 4/20 0.65
FLT3 P36888 4/20 0.65
PDGFRA P16234 3/20 0.65
KDR P35968 3/20 0.65
ALK Q9UM73 2/20 0.65
EGFR P00533 1/20 0.65
MST1R Q04912 1/20 0.65
PDGFRB P09619 2/20 0.62
FLT4 P35916 1/20 0.62
AXL P30530 1/20 0.61

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
SCHEMBL697403 0.97 MET (0.71) METKITFLT3PDGFRAKDR
SCHEMBL697892 0.95 MET (0.74) METKITFLT3PDGFRAKDR
SCHEMBL15425895 0.91 MET (0.66) METKITFLT3PDGFRAKDR
SCHEMBL168146 0.91 MET (0.76) METKITFLT3PDGFRAKDR
SCHEMBL696346 0.91 MET (0.74) METKITFLT3PDGFRAKDR
SCHEMBL698269 0.90 MET (0.69) METKITFLT3PDGFRAKDR
SCHEMBL168678 0.90 MET (0.73) METKITFLT3PDGFRAKDR
SCHEMBL167591 0.90 MET (0.76) METKITFLT3PDGFRAKDR
SCHEMBL698314 0.89 MET (0.64) METKITFLT3PDGFRAKDR
SCHEMBL167823 0.89 MET (0.61) METKITFLT3PDGFRAKDR

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-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP claimed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO claimed