SCHEMBL28080561

SCHEMBL28080561

N#CNc1cccc(-c2ncnc3[nH]ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.62
MELK Q14680 2/20 0.62
JAK1 P23458 12/20 0.59
JAK2 O60674 11/20 0.58
RPS6KA3 P51812 2/20 0.55
RPS6KA5 O75582 1/20 0.55
MAP2K4 P45985 1/20 0.55
TYK2 P29597 9/20 0.54
AXL P30530 1/20 0.53
MERTK Q12866 1/20 0.53
BMX P51813 1/20 0.51
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
NTRK1 P04629 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49

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
SCHEMBL27947529 0.81 JAK2 (0.61) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL28080559 0.79 JAK3 (0.74) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL24805930 0.78 JAK3 (0.65) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL13885161 0.77 JAK2 (0.69) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL28348684 0.77 JAK3 (0.69) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL20184394 0.77 JAK3 (0.69) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL4582660 0.76 JAK2 (0.67) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL4582666 0.76 JAK2 (0.67) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL15661937 0.76 JAK2 (0.67) JAK3MELKJAK1JAK2RPS6KA3
SCHEMBL4006751 0.75 JAK2 (1.00) JAK3MELKJAK1JAK2RPS6KA3

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-105712998-B Azaindole derivatives, preparation method and medical application thereof 上海润诺生物科技有限公司 2019-12-13 CN disclosed
CN-105712998-A Azaindole derivatives, preparation method and applications thereof in medicine 上海润诺生物科技有限公司 2016-06-29 CN disclosed