SCHEMBL2858491

SCHEMBL2858491

O=C(O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.75
AURKA O14965 4/20 0.75
PDGFRB P09619 4/20 0.75
KIT P10721 4/20 0.75
FLT1 P17948 4/20 0.75
BRAF P15056 2/20 0.75
FGFR1 P11362 1/20 0.57
PDGFRA P16234 1/20 0.57
JAK2 O60674 1/20 0.54

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
SCHEMBL4293200 0.86 KDR (1.00) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293486 0.86 KDR (0.72) KDRAURKAPDGFRBKITFLT1
SCHEMBL4288568 0.86 KDR (0.74) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293783 0.86 KDR (0.78) KDRAURKAPDGFRBKITFLT1
SCHEMBL4280488 0.86 KDR (0.74) KDRAURKAPDGFRBKITFLT1
SCHEMBL4290485 0.86 KDR (0.79) KDRAURKAPDGFRBKITFLT1
SCHEMBL2857640 0.86 KDR (0.66) KDRAURKAPDGFRBKITFLT1
SCHEMBL4295745 0.85 KDR (0.78) KDRAURKAPDGFRBKITFLT1
SCHEMBL4293007 0.85 KDR (0.71) KDRAURKAPDGFRBKITFLT1
SCHEMBL4289991 0.85 KDR (0.71) KDRAURKAPDGFRBKITFLT1

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-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed