SCHEMBL28801744

SCHEMBL28801744

CC(C)(C)C(=O)On1ccc2c(-c3cnn(C(CC#N)C4CCCC4)c3)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.56
JAK1 P23458 10/20 0.56
JAK3 P52333 4/20 0.56
ABL1 P00519 3/20 0.56
TYK2 P29597 3/20 0.56
DAPK3 O43293 2/20 0.56
PAK4 O96013 2/20 0.56
RET P07949 2/20 0.56
LTK P29376 2/20 0.56
CSNK1A1 P48729 2/20 0.56
CLK2 P49760 2/20 0.56
TNK2 Q07912 2/20 0.56
ROCK1 Q13464 2/20 0.56
DYRK1A Q13627 2/20 0.56
IKBKE Q14164 2/20 0.56
NTRK3 Q16288 2/20 0.56
NTRK2 Q16620 2/20 0.56
LRRK2 Q5S007 2/20 0.56
TAOK1 Q7L7X3 2/20 0.56
CAMK1D Q8IU85 2/20 0.56

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
SCHEMBL28801743 1.00 JAK2 (0.56) JAK2JAK1JAK3ABL1TYK2
SCHEMBL28801738 0.93 JAK2 (0.56) JAK2JAK1JAK3ABL1TYK2
SCHEMBL28801746 0.93 JAK2 (0.56) JAK2JAK1JAK3ABL1TYK2
SCHEMBL28861118 0.89 JAK1 (0.42) JAK2JAK1JAK3ABL1TYK2
SCHEMBL28861129 0.89 JAK1 (0.42) JAK2JAK1JAK3ABL1TYK2
SCHEMBL27246194 0.88 JAK2 (0.49) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2998346 0.88 JAK2 (0.55) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2998410 0.88 JAK2 (0.55) JAK2JAK1JAK3ABL1TYK2
SCHEMBL3007464 0.88 JAK2 (0.55) JAK2JAK1JAK3ABL1TYK2
SCHEMBL31330297 0.88 JAK2 (0.55) JAK2JAK1JAK3ABL1TYK2

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-114853760-A Preparation method of luccotinib intermediate 南京正大天晴制药有限公司 2022-08-05 CN disclosed