SCHEMBL12825326

SCHEMBL12825326

NCCC(C(=O)Nc1ccc2[nH]nc(-c3ccc(CCC(=O)O)cc3)c2c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 8/20 0.54
▸ ROCK2 O75116 5/20 0.49
▸ AURKB Q96GD4 3/20 0.43
▸ AURKA O14965 3/20 0.43
▸ ROCK1 Q13464 4/20 0.42
▸ MYLK4 Q86YV6 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ MAPK13 O15264 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ RPS6KA5 O75582 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ CHEK2 O96017 1/20 0.42

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
SCHEMBL12826071 0.91 TTK (0.56) TTKROCK2AURKBAURKAROCK1
SCHEMBL12825316 0.90 TTK (0.62) TTKROCK2AURKBAURKAROCK1
SCHEMBL12825317 0.87 TTK (0.57) TTKROCK2AURKBROCK1MYLK4
SCHEMBL12826114 0.87 TTK (0.60) TTKROCK2ROCK1MYLK4MAPK1
SCHEMBL12825406 0.84 TTK (0.66) TTKROCK2AURKBAURKAPLK4
SCHEMBL12825315 0.84 TTK (0.56) TTKROCK2AURKBROCK1MYLK4
SCHEMBL12825512 0.84 TTK (0.63) TTKROCK2AURKBAURKAPLK4
SCHEMBL12826074 0.82 TTK (0.53) TTKROCK2AURKBROCK1MYLK4
SCHEMBL12825509 0.82 TTK (0.51) TTKROCK2AURKBROCK1MYLK4
SCHEMBL12825520 0.82 JAK2 (0.59) TTKROCK2AURKBROCK1MAPK1

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-2295413-A1 Indazole compounds useful as protein kinase inhibitors Vertex Pharmaceuticals Incorporated (US) 2011-03-16 — — EP disclosed
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