SCHEMBL28501701

SCHEMBL28501701

CCCCCCCCCCCCCCCCCCCCCCOc1cccc2c1C(Br)(c1cccc(F)c1)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN11 Q06124 2/20 0.38
PTPN1 P18031 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL28500860 0.84 PDK2 (0.47) PDK2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL31193446 0.83 PDK2 (0.56) PDK2PTPN11
SCHEMBL538517 0.81 PDK2 (0.53) PDK2PTPN11
SCHEMBL21464021 0.78 PDK2 (0.52) PDK2PTPN11PTPN1
SCHEMBL15470845 0.75 PDK2 (0.46) PDK2
SCHEMBL31003499 0.75 PDK2 (0.42) PDK2NPSR1LMNAOPRK1HTR2B
SCHEMBL23094042 0.72 PDK2 (0.50) PDK2PTPN11
SCHEMBL10251466 0.71 PDK2 (0.54) PDK2PTPN11
SCHEMBL31003500 0.71 GPR3 (0.41) PDK2LMNACHRM2CYP3A4ADRA2A
SCHEMBL28026944 0.68 CYP2C9 (0.46) PDK2MEN1KMT2ACYP2C9CYP2C19

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-111971293-A Peptide synthesis method JITSUBO株式会社 2020-11-20 CN disclosed