SCHEMBL3385889

SCHEMBL3385889

CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cnc4cc(-c5ccncc5)ccn34)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.56
MAPK14 Q16539 4/20 0.52
KDR P35968 5/20 0.51
NTRK1 P04629 2/20 0.51
RET P07949 1/20 0.51
EPHB2 P29323 1/20 0.51
FGFR3 P22607 3/20 0.50
MAPK13 O15264 1/20 0.47
FLT3 P36888 4/20 0.44
NEK7 Q8TDX7 2/20 0.44
PTK2 Q05397 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3385035 0.88 KDR (0.49) RAF1MAPK14KDRFGFR3MAPK13
SCHEMBL3384029 0.85 KDR (0.56) KDRFGFR3FLT3
SCHEMBL3386414 0.85 RAF1 (0.58) RAF1MAPK14KDRRETFGFR3
SCHEMBL3382710 0.83 MAPK14 (0.60) RAF1MAPK14KDRNTRK1RET
SCHEMBL3383255 0.83 KDR (0.55) MAPK14KDRFGFR3MAPK13
SCHEMBL3385731 0.82 KDR (0.50) KDRFGFR3FLT3PTK2
SCHEMBL3382499 0.81 KDR (0.55) KDRFGFR3FLT3
SCHEMBL3386477 0.81 KDR (0.47) MAPK14KDRFGFR3MAPK13FLT3
SCHEMBL3184870 0.81 KDR (0.61) RAF1KDRFGFR3
SCHEMBL3384190 0.80 KDR (0.62) KDRNTRK1FGFR3

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