SCHEMBL3385381

SCHEMBL3385381

CN(C)Cc1nc(NC(=O)Cc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2F)sc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.42
FGFR3 P22607 14/20 0.42
FLT3 P36888 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
NEK2 P51955 1/20 0.36

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
SCHEMBL3385425 0.90 KDR (0.44) KDRFGFR3NEK2
SCHEMBL3177651 0.88 KDR (0.39) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3385376 0.88 KDR (0.43) KDRFGFR3FLT3PIK3CAMTOR
SCHEMBL3186574 0.87 KDR (0.39) KDRFGFR3FLT3
SCHEMBL3196061 0.84 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3380938 0.84 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3383524 0.83 KDR (0.43) KDRFGFR3PIK3CAMTORNEK2
SCHEMBL3196212 0.82 KDR (0.46) KDRFGFR3FLT3
SCHEMBL3383762 0.81 KDR (0.45) KDRFGFR3PIK3CAMTOR
SCHEMBL3185886 0.80 FGFR3 (0.43) KDRFGFR3FLT3

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