SCHEMBL28378727

SCHEMBL28378727

COc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRA P16234 8/20 0.57
▸ PDGFRB P09619 1/20 0.57
▸ KDR P35968 7/20 0.55
▸ AURKB Q96GD4 3/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ MET P08581 3/20 0.53
▸ FGFR2 P21802 3/20 0.53
▸ AURKA O14965 2/20 0.53
▸ ABL1 P00519 2/20 0.53
▸ LCK P06239 2/20 0.53
▸ LYN P07948 2/20 0.53
▸ TEK Q02763 2/20 0.53
▸ KIT P10721 3/20 0.52
▸ AXL P30530 2/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ NTRK1 P04629 1/20 0.52
▸ PGR P06401 1/20 0.52

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
SCHEMBL1742894 0.87 MET (0.70) PDGFRAKDRAURKBFLT3MET
SCHEMBL29972991 0.87 MET (0.70) PDGFRAKDRAURKBFLT3MET
SCHEMBL12807168 0.87 MET (0.70) PDGFRAKDRAURKBFLT3MET
SCHEMBL29995716 0.81 AXL (0.72) KDRAURKBFLT3METAURKA
SCHEMBL23880322 0.80 PDGFRA (0.60) PDGFRAPDGFRBKDRAURKBFLT3
SCHEMBL28637610 0.79 AXL (0.74) KDRAURKBFLT3METAURKA
SCHEMBL23923068 0.79 PDGFRA (0.69) PDGFRAPDGFRBKDRAURKBMET
SCHEMBL3794599 0.79 FGFR2 (0.69) PDGFRAPDGFRBKDRAURKBMET
SCHEMBL16061949 0.78 KDR (0.56) PDGFRAKDRAURKBFLT3MET
SCHEMBL30526378 0.77 PDGFRA (0.67) PDGFRAPDGFRBKDRFGFR2KIT

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
CN-110981798-A Antineoplastic drug cabozantinib impurity, preparation method and application thereof 乐普药业股份有限公司 2020-04-10 — — CN disclosed
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