SCHEMBL3385167

SCHEMBL3385167

CC1(c2sc(NC(=O)Cc3ccc(-c4cnc5cc(-c6ccccn6)ccn45)cc3F)nc2CN2CCOCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.39
FGFR3 P22607 8/20 0.39
MOK Q9UQ07 1/20 0.36
BDKRB1 P46663 1/20 0.34
MAPK14 Q16539 1/20 0.34
SMO Q99835 1/20 0.34
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CLK1 P49759 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
EPHX2 P34913 1/20 0.34
PDGFRA P16234 1/20 0.33

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
SCHEMBL3382115 0.91 KDR (0.38) KDRFGFR3BDKRB1WNT1GSK3B
SCHEMBL3386379 0.90 FGFR3 (0.42) KDRFGFR3MOKMAPK14SMO
SCHEMBL4973341 0.89 FGFR3 (0.42) KDRFGFR3RAB9A
SCHEMBL3187730 0.88 KDR (0.41) KDRFGFR3RAB9A
SCHEMBL3386227 0.81 KDR (0.43) KDRFGFR3MOKBDKRB1
SCHEMBL3186574 0.81 KDR (0.39) KDRFGFR3WNT1GSK3BDYRK1A
SCHEMBL3383557 0.80 KDR (0.44) KDRFGFR3
SCHEMBL3385390 0.79 KDR (0.49) KDRFGFR3
SCHEMBL3384206 0.78 KDR (0.45) KDRFGFR3RAB9A
SCHEMBL3385425 0.78 KDR (0.44) KDRFGFR3

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-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed