SCHEMBL4037276

SCHEMBL4037276

COc1ccc2cc(C)c(NC(=O)c3ccccc3NCc3ccnc(OC(N)=O)c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.43
FLT1 P17948 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
KIT P10721 10/20 0.40
BRAF P15056 10/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PDGFRA P16234 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CD38 P28907 1/20 0.38

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
SCHEMBL4035005 0.94 KDR (0.45) KDRFLT1TP53MAPTKIT
SCHEMBL4032277 0.89 KDR (0.42) KDRFLT1TP53MAPTAURKA
SCHEMBL4035003 0.86 KDR (0.45) KDRFLT1TP53MAPTKIT
SCHEMBL4037293 0.85 KIT (0.51) KDRFLT1TP53MAPTKIT
SCHEMBL6542888 0.82 KDR (0.43) KDRFLT1TP53MAPTAURKA
SCHEMBL4037147 0.82 KDR (0.43) KDRFLT1TP53MAPTAURKA
SCHEMBL4037145 0.80 KDM4E (0.48) KDRFLT1TP53MAPTKMT2A
SCHEMBL4037432 0.80 KDR (0.44) KDRFLT1TP53MAPTAURKA
SCHEMBL4040918 0.80 NPC1 (0.46) TP53MAPTKITBRAFNPC1
SCHEMBL4038213 0.75 NPC1 (0.49) TP53MAPTKITBRAFNPC1

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-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed