SCHEMBL3382115

SCHEMBL3382115

CC1(c2sc(NC(=O)Cc3ccc(-c4cnc5cc(-c6ccncc6)ccn45)cc3F)nc2CN2CCOCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.38
FGFR3 P22607 5/20 0.37
ROCK2 O75116 2/20 0.35
WNT1 P04628 2/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
FLT3 P36888 2/20 0.34
BDKRB1 P46663 1/20 0.34
ROCK1 Q13464 2/20 0.34
RET P07949 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
SCHEMBL3385167 0.91 KDR (0.39) KDRFGFR3WNT1GSK3BDYRK1A
SCHEMBL3186574 0.90 KDR (0.39) KDRFGFR3ROCK2WNT1GSK3B
SCHEMBL3177651 0.88 KDR (0.39) KDRFGFR3FLT3
SCHEMBL3386462 0.82 KDR (0.39) KDRFGFR3FLT3
SCHEMBL3384404 0.81 KDR (0.42) KDRFGFR3FLT3ROCK1
SCHEMBL3202028 0.81 KDR (0.41) KDRFGFR3WNT1GSK3BDYRK1A
SCHEMBL3379613 0.81 KDR (0.37) KDRFGFR3WNT1GSK3BDYRK1A
SCHEMBL3386379 0.81 FGFR3 (0.42) KDRFGFR3
SCHEMBL3386457 0.79 DDR1 (0.42) KDRFGFR3BDKRB1RET
SCHEMBL4973341 0.79 FGFR3 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101128461-B Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI 2010-12-22 CN disclosed
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
CN-101128461-A Imidazo (1, 2-a) pyridine compounds as VEGF-R2 inhibitors LILLY CO ELI (US) 2008-02-20 CN disclosed