SCHEMBL28374301

SCHEMBL28374301

COc1cc2nccc(Oc3ccc(C4(CC(=O)O)CC4)cc3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.60
▸ AURKB Q96GD4 2/20 0.60
▸ PDGFRA P16234 7/20 0.57
▸ KDR P35968 7/20 0.57
▸ MET P08581 4/20 0.56
▸ KIT P10721 2/20 0.56
▸ AXL P30530 2/20 0.56
▸ AURKA O14965 1/20 0.56
▸ RIPK2 O43353 1/20 0.56
▸ ABCB11 O95342 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ ERBB2 P04626 1/20 0.56
▸ NTRK1 P04629 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ LYN P07948 1/20 0.56
▸ RET P07949 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ HCK P08631 1/20 0.56

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
SCHEMBL5824349 0.81 PDGFRA (0.65) FLT3AURKBPDGFRAKDRMET
SCHEMBL23880322 0.81 PDGFRA (0.60) FLT3AURKBPDGFRAKDRMET
SCHEMBL2172904 0.80 PDGFRA (0.64) FLT3AURKBPDGFRAKDRMET
SCHEMBL7485158 0.78 FGFR2 (0.71) FLT3AURKBPDGFRAKDRMET
SCHEMBL14808762 0.78 AURKB (0.67) FLT3AURKBPDGFRAKDRMET
SCHEMBL7486400 0.76 FGFR2 (0.84) PDGFRAKDREGFRPDGFRBFGFR2
SCHEMBL2176217 0.76 PDGFRB (0.67) FLT3AURKBPDGFRAKDRMET
SCHEMBL30918289 0.75 AXL (0.90) FLT3AURKBPDGFRAKDRMET
SCHEMBL15872120 0.75 AXL (0.90) FLT3AURKBPDGFRAKDRMET
SCHEMBL1877070 0.75 PDGFRA (0.84) PDGFRAKDRMETKITAXL

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-111440119-B Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2021-08-24 — — CN disclosed
CN-111440119-A Preparation method of cabozantinib intermediate 郑州大学第一附属医院 2020-07-24 — — CN disclosed
CN-110143917-B Preparation method of cabozantinib metabolite 郑州大学第一附属医院 2020-03-31 — — CN disclosed
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