SCHEMBL28212909

SCHEMBL28212909

CC(=O)OC(C)(C)C.Nc1ncc2c(Cl)c(Cl)ccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.37
FGFR1 P11362 3/20 0.37
SRC P12931 3/20 0.37
PDGFRA P16234 3/20 0.37
NUDT1 P36639 1/20 0.35
MAPKAPK2 P49137 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAP4K4 O95819 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LCK P06239 1/20 0.32
CSNK2A1 P68400 1/20 0.31
ACACB O00763 1/20 0.31
PRKD3 O94806 1/20 0.31
EGFR P00533 1/20 0.31

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
Acetic Acid SCHEMBL28212380 0.87 PDGFRB (0.37) PDGFRBFGFR1SRCPDGFRANUDT1
SCHEMBL28212908 0.81 BCL6 (0.41)
SCHEMBL26679767 0.66 GRM4 (0.38)
SCHEMBL30637864 0.66 GRM4 (0.38)
Aniline SCHEMBL29479305 0.63 TSHR (0.44) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL559893 0.62 MAPT (0.47) FGFR1SRCNUDT1NPC1RAB9A
Aniline SCHEMBL27497239 0.62 TSHR (0.43) NPC1RAB9AKMT2AMEN1GAA
Benzene SCHEMBL28127867 0.61 GAA (0.44) NPC1RAB9AKMT2AMEN1GAA
Hydrogen Peroxide SCHEMBL3021120 0.61 GAA (0.48) KMT2AMEN1GAALCKSMN1; SMN2
SCHEMBL5414477 0.61 HSP90AA1 (0.37) HSP90AA1HSP90AB1KMT2AMEN1MAP4K4

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-107903217-A A kind of preparation method of anagrelide impurity B 湖北省宏源药业科技股份有限公司 2018-04-13 CN disclosed