SCHEMBL30223299

SCHEMBL30223299

COc1c(F)ccc(NC(=O)C(C)(C)C)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
ALOX12 P18054 2/20 0.39
CETP P11597 1/20 0.39
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ABCB1 P08183 3/20 0.36
MEN1 O00255 3/20 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
SCHEMBL1980340 1.00 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL24073391 0.79 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL30223290 0.79 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL15845739 0.78 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL31355572 0.78 KDM4E (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL4622913 0.78 KDM4E (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1285563 0.76 PDK1 (0.38) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL15845612 0.73 KDM4E (0.42) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1983314 0.73 KDM4E (0.57) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL2432483 0.71 MEN1 (0.44) PDK1PDK2PDK3PDK4L3MBTL1

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-115697993-B Pyrimidine compounds as AXL inhibitors 南京正大天晴制药有限公司 2024-12-10 CN disclosed
CN-115697993-A Pyrimidines as AXL inhibitors 南京正大天晴制药有限公司 2023-02-03 CN disclosed