SCHEMBL30162801

SCHEMBL30162801

Cn1cc(C(=O)Nc2cccc(-n3ccc(Nc4ccc5[nH]ncc5c4)n3)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ ROCK2 O75116 2/20 0.49
▸ ROCK1 Q13464 2/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ DYRK3 O43781 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ RPS6KB1 P23443 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL29218240 1.00 JAK2 (0.52) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL29218178 0.87 ROCK2 (0.48) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL30163107 0.87 ROCK2 (0.48) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL30162993 0.86 JAK2 (0.51) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL29218159 0.86 JAK2 (0.51) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL29218207 0.86 JAK3 (0.55) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL30162998 0.86 JAK3 (0.55) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL29218248 0.82 JAK2 (0.49) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL30162919 0.82 JAK2 (0.49) JAK2JAK1ROCK2ROCK1NPC1
SCHEMBL24934121 0.80 ROCK1 (0.51) JAK2ROCK2ROCK1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 — — EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 — — CN disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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