SCHEMBL3386449

SCHEMBL3386449

Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(-c2cnc3cc(-c4nccs4)ccn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 11/20 0.50
NTRK1 P04629 3/20 0.50
AURKA O14965 1/20 0.43
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
AURKB Q96GD4 1/20 0.43
KDR P35968 1/20 0.42
MAPK14 Q16539 4/20 0.41
DDR2 Q16832 1/20 0.41
FLT3 P36888 1/20 0.40
ERBB2 P04626 1/20 0.39
MAPK11 Q15759 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
SCHEMBL3385668 0.87 RET (0.47) RETNTRK1AURKAMAP4K4CSF1R
SCHEMBL3386105 0.82 ALDH1A1 (0.52) KDRFLT3
SCHEMBL3381138 0.77 KDR (0.42) RETKDRMAPK14ERBB2MAPK11
SCHEMBL3383188 0.76 FLT3 (0.48) RETNTRK1KDRMAPK14FLT3
SCHEMBL3385590 0.76 MAPK14 (0.40) NTRK1KDRMAPK14FLT3
SCHEMBL3385883 0.76 KDR (0.50) KDRMAPK14ERBB2MAPK11
SCHEMBL3382710 0.74 MAPK14 (0.60) RETNTRK1KDRMAPK14ERBB2
SCHEMBL3383429 0.73 FLT3 (0.48) RETNTRK1KDRMAPK14FLT3
SCHEMBL3381778 0.73 LOXL2 (0.59) KDRFLT3
SCHEMBL3384012 0.72 KDR (0.53) RETNTRK1KDRMAPK14ERBB2

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