SCHEMBL28464530

SCHEMBL28464530

CCOC(=O)C(=O)c1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.69
PDGFRA P16234 1/20 0.59
PDGFRB P09619 5/20 0.57
FLT4 P35916 5/20 0.57
CSF1R P07333 4/20 0.57
RAF1 P04049 1/20 0.55
BRAF P15056 1/20 0.55
RET P07949 1/20 0.53
KIF5B P33176 1/20 0.53
FLT3 P36888 3/20 0.53
LCK P06239 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
SCHEMBL30448369 1.00 KDR (0.69) KDRPDGFRAPDGFRBFLT4CSF1R
SCHEMBL28475707 0.85 KDR (0.62) KDRPDGFRAFLT4CSF1RRAF1
SCHEMBL30447427 0.85 KDR (0.62) KDRPDGFRAFLT4CSF1RRAF1
SCHEMBL30447769 0.85 KDR (0.66) KDRPDGFRAPDGFRBFLT4CSF1R
SCHEMBL28468402 0.85 KDR (0.66) KDRPDGFRAPDGFRBFLT4CSF1R
SCHEMBL30448215 0.85 KDR (0.66) KDRPDGFRAFLT4CSF1RRAF1
SCHEMBL28979437 0.85 KDR (0.66) KDRPDGFRAFLT4CSF1RRAF1
SCHEMBL30448125 0.84 KDR (0.65) KDRPDGFRAPDGFRBFLT4CSF1R
SCHEMBL28979421 0.84 KDR (0.65) KDRPDGFRAPDGFRBFLT4CSF1R
SCHEMBL30448543 0.83 KDR (0.61) KDRPDGFRAPDGFRBFLT4CSF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825605-B Aryl ketone amide compound and preparation method and application thereof 中国科学院上海药物研究所 2023-03-31 CN disclosed
CN-111825605-A Aryl ketone amide compound and preparation method and application thereof 中国科学院上海药物研究所 2020-10-27 CN disclosed