SCHEMBL3385952

SCHEMBL3385952

CC(C)(C)c1cnc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.47
FGFR3 P22607 13/20 0.47
FLT3 P36888 1/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
ROCK1 Q13464 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL3383147 0.92 FGFR3 (0.40) KDRFGFR3
SCHEMBL3385736 0.90 KDR (0.50) KDRFGFR3FLT3
SCHEMBL3385492 0.88 FGFR3 (0.50) KDRFGFR3
SCHEMBL3384220 0.86 KDR (0.47) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3380938 0.85 KDR (0.46) KDRFGFR3FLT3GABRA1GABRG2
SCHEMBL3383417 0.84 FLT3 (0.49) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3380736 0.83 KDR (0.50) KDRFGFR3FLT3
SCHEMBL3383222 0.83 FGFR3 (0.42) KDRFGFR3
SCHEMBL3381118 0.82 NPC1 (0.54) KDRFGFR3FLT3
SCHEMBL3385380 0.81 KDR (0.47) KDRFGFR3FLT3PIK3CAMTOR

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