SCHEMBL5858615

SCHEMBL5858615

NCCNC(C(=O)Nc1ccc2[nH]ncc2c1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.55
▸ ROCK1 Q13464 8/20 0.55
▸ MAP4K4 O95819 3/20 0.55
▸ RPS6KB1 P23443 3/20 0.55
▸ CLK2 P49760 3/20 0.55
▸ DYRK1A Q13627 3/20 0.55
▸ CLK4 Q9HAZ1 3/20 0.55
▸ PRKD3 O94806 2/20 0.55
▸ PRKG1 Q13976 2/20 0.55
▸ PRKD2 Q9BZL6 2/20 0.55
▸ SGK2 Q9HBY8 2/20 0.55
▸ STK17A Q9UEE5 2/20 0.55
▸ DYRK3 O43781 2/20 0.55
▸ MKNK2 Q9HBH9 2/20 0.55
▸ CDC7 O00311 1/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ DCLK1 O15075 1/20 0.55
▸ MAPK13 O15264 1/20 0.55
▸ PDPK1 O15530 1/20 0.55

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
SCHEMBL20661235 0.88 ROCK2 (0.67) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL1456516 0.86 ROCK2 (0.53) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL1456959 0.86 ROCK2 (0.58) ROCK2ROCK1NPC1RAB9A
SCHEMBL20661261 0.85 ROCK2 (0.65) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL12824530 0.84 ROCK2 (0.67) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL1457361 0.83 ROCK2 (0.63) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL29099870 0.81 ROCK2 (0.55) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL20661265 0.78 ROCK2 (0.67) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL20661233 0.77 ROCK2 (0.52) ROCK2ROCK1MAP4K4RPS6KB1CLK2
SCHEMBL20661228 0.77 ROCK2 (0.63) ROCK2ROCK1MAP4K4RPS6KB1CLK2

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-1812973-B Indazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-22 — — CN disclosed
US-7041687-B2 Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-09 — — US disclosed
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