SCHEMBL12824530

SCHEMBL12824530

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.67
▸ ROCK1 Q13464 5/20 0.64
▸ PRKD3 O94806 2/20 0.64
▸ MAP4K4 O95819 2/20 0.64
▸ RPS6KB1 P23443 2/20 0.64
▸ CLK2 P49760 2/20 0.64
▸ DYRK1A Q13627 2/20 0.64
▸ PRKG1 Q13976 2/20 0.64
▸ PRKD2 Q9BZL6 2/20 0.64
▸ CLK4 Q9HAZ1 2/20 0.64
▸ SGK2 Q9HBY8 2/20 0.64
▸ STK17A Q9UEE5 2/20 0.64
▸ CDC7 O00311 1/20 0.64
▸ PLK4 O00444 1/20 0.64
▸ CHEK1 O14757 1/20 0.64
▸ DCLK1 O15075 1/20 0.64
▸ MAPK13 O15264 1/20 0.64
▸ PDPK1 O15530 1/20 0.64
▸ DAPK3 O43293 1/20 0.64
▸ DYRK3 O43781 1/20 0.64

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
SCHEMBL1457361 0.86 ROCK2 (0.63) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL12824525 0.85 ROCK2 (0.69) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL9883271 0.84 ROCK2 (0.69) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL1456516 0.84 ROCK2 (0.53) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL5858615 0.84 ROCK2 (0.55) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL29099870 0.84 ROCK2 (0.55) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL20661261 0.82 ROCK2 (0.65) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL20661235 0.82 ROCK2 (0.67) ROCK2ROCK1PRKD3MAP4K4RPS6KB1
SCHEMBL19886625 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL29431387 0.80 ROCK2 (0.74) ROCK2ROCK1PRKD3MAP4K4RPS6KB1

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
EP-2295412-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
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