SCHEMBL29218248

SCHEMBL29218248

O=C(Nc1cccc(-n2ccc(Nc3ccc4[nH]ncc4c3)n2)c1)c1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.49
▸ JAK1 P23458 2/20 0.49
▸ JAK3 P52333 1/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ CLK4 Q9HAZ1 2/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ DYRK1B Q9Y463 1/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ RPS6KB1 P23443 1/20 0.46
▸ PRKG1 Q13976 1/20 0.46
▸ PRKD2 Q9BZL6 1/20 0.46
▸ SGK2 Q9HBY8 1/20 0.46
▸ STK17A Q9UEE5 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL30162919 1.00 JAK2 (0.49) JAK2JAK1JAK3CLK2DYRK1A
SCHEMBL29218270 0.85 JAK3 (0.59) JAK2JAK1JAK3CLK2DYRK1A
SCHEMBL30163049 0.85 JAK3 (0.59) JAK2JAK1JAK3CLK2DYRK1A
SCHEMBL29218240 0.82 JAK2 (0.52) JAK2JAK1CLK2DYRK1ACLK4
SCHEMBL30162801 0.82 JAK2 (0.52) JAK2JAK1CLK2DYRK1ACLK4
SCHEMBL24934337 0.79 ROCK1 (0.51) JAK2JAK1CLK2DYRK1ACLK4
SCHEMBL30162921 0.79 ROCK1 (0.51) JAK2JAK1CLK2DYRK1ACLK4
SCHEMBL29218319 0.76 ROCK2 (0.51) JAK2JAK1ROCK2ROCK1KDM4E
SCHEMBL30163045 0.76 ROCK2 (0.51) JAK2JAK1ROCK2ROCK1KDM4E
SCHEMBL18038323 0.75 ROCK1 (0.73) CLK2DYRK1ACLK4DYRK3CLK1

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-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 — — CN disclosed
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