SCHEMBL28655203

SCHEMBL28655203

COC(=O)c1ccc2c(c1)NC(=O)C2=Cc1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.59
AURKA O14965 1/20 0.59
PDPK1 O15530 1/20 0.52
PLK4 O00444 2/20 0.49
PLK1 P53350 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PIM1 P11309 4/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
PSD A5PKW4 1/20 0.45
PIM3 Q86V86 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
EGFR P00533 1/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL28074783 0.87 AURKA (0.58) RAF1AURKAPDPK1PLK4PLK1
SCHEMBL21680920 0.86 MEN1 (0.61) RAF1PDPK1PLK4PLK1MEN1
SCHEMBL249353 0.82 PLK4 (0.55) RAF1PLK4PLK1MEN1KMT2A
SCHEMBL2945563 0.82 PLK4 (0.55) RAF1PLK4PLK1MEN1KMT2A
SCHEMBL14658650 0.81 TLK2 (0.60) PDPK1PLK4PLK1PIM1PIM3
SCHEMBL14658651 0.81 TLK2 (0.60) PDPK1PLK4PLK1PIM1PIM3
SCHEMBL14521087 0.81 PDPK1 (0.55) RAF1AURKAPDPK1PIM1PSEN1
SCHEMBL14521055 0.80 CSNK1D (0.54) RAF1AURKAPDPK1KDRTDP1
SCHEMBL14521076 0.78 AURKA (0.53) RAF1AURKAPDPK1PLK4PLK1
SCHEMBL8220285 0.77 LRRK2 (0.58) PLK4PLK1PSEN1PSEN2APH1B

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-107935909-B Synthesis method of nintedanib and intermediate thereof 上海科胜药物研发有限公司 2023-03-17 CN disclosed
CN-109803954-B Preparation method of nintedanib and intermediate thereof 浙江华海药业股份有限公司 2021-12-07 CN disclosed