SCHEMBL4035005

SCHEMBL4035005

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.45
FLT1 P17948 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
KIT P10721 10/20 0.41
BRAF P15056 10/20 0.41
HPGDS O60760 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT3 P40763 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 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
SCHEMBL4037276 0.94 KDR (0.43) KDRFLT1TP53MAPTKIT
SCHEMBL4035003 0.89 KDR (0.45) KDRFLT1TP53MAPTKIT
SCHEMBL4037147 0.89 KDR (0.43) KDRFLT1TP53MAPTHPGDS
SCHEMBL4037293 0.87 KIT (0.51) KDRFLT1TP53MAPTKIT
SCHEMBL4037145 0.83 KDM4E (0.48) KDRFLT1TP53MAPTHPGDS
SCHEMBL4032277 0.82 KDR (0.42) KDRFLT1TP53MAPTHPGDS
SCHEMBL4037432 0.82 KDR (0.44) KDRFLT1TP53MAPTHPGDS
SCHEMBL4038213 0.81 NPC1 (0.49) TP53MAPTKITBRAFNPC1
SCHEMBL6542888 0.80 KDR (0.43) KDRFLT1TP53MAPTHPGDS
SCHEMBL4036769 0.76 FLT1 (0.48) KDRFLT1KITBRAF

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