SCHEMBL28348684

SCHEMBL28348684

C/C=C(\C#N)C(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.69
MELK Q14680 2/20 0.69
JAK1 P23458 3/20 0.66
RPS6KA3 P51812 2/20 0.64
RPS6KA5 O75582 1/20 0.64
MAP2K4 P45985 1/20 0.64
ROCK2 O75116 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
LIMK1 P53667 1/20 0.49
JAK2 O60674 3/20 0.47
CDK2 P24941 4/20 0.46
TYK2 P29597 1/20 0.45
AXL P30530 1/20 0.45
MERTK Q12866 1/20 0.45
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43

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
SCHEMBL28345600 0.88 JAK3 (0.59) JAK3MELKJAK1RPS6KA3RPS6KA5
Hydrochloric Acid SCHEMBL28882385 0.88 JAK3 (0.58) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL20184394 0.81 JAK3 (0.69) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL28080559 0.81 JAK3 (0.74) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL28348803 0.79 JAK3 (1.00) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL13858113 0.78 JAK3 (0.80) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL13858114 0.78 JAK3 (0.80) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL28080561 0.77 JAK3 (0.62) JAK3MELKJAK1RPS6KA3RPS6KA5
SCHEMBL28348906 0.77 JAK3 (0.53) JAK3CYP3A4JAK2CDK8
SCHEMBL21409411 0.77 JAK3 (0.73) JAK3MELKJAK1RPS6KA3RPS6KA5

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-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