SCHEMBL3382233

SCHEMBL3382233

Cn1nc(C(C)(C)C)cc1NC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.50
NTRK1 P04629 2/20 0.49
MAPK14 Q16539 8/20 0.47
ERBB2 P04626 1/20 0.45
MAPK11 Q15759 1/20 0.45
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

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
SCHEMBL21436554 0.83 MAPK14 (0.49) MAPK14MAPK11
SCHEMBL1256126 0.80 ALDH1A1 (0.46) RETMAPK14
SCHEMBL16537069 0.77 RET (0.53) RET
SCHEMBL31391223 0.76 MAPK14 (0.53) MAPK14MAPK11
SCHEMBL1257268 0.76 FLT3 (0.54) RETNTRK1CSF1R
SCHEMBL3478663 0.76 CDK8 (0.51) MAPK14MAPK11
SCHEMBL3380812 0.73 ALDH1A1 (0.65)
SCHEMBL13200504 0.72 MAPK14 (0.70) RETNTRK1MAPK14
SCHEMBL3383205 0.72 CCNE1 (0.46)
SCHEMBL23170036 0.72 RET (0.49) RETMAPK14

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