SCHEMBL12825419

SCHEMBL12825419

N#Cc1cccc(Nc2n[nH]c3ccc(NC(=O)C(CCN)c4ccccc4)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.46
▸ ROCK2 O75116 3/20 0.45
▸ ULK1 O75385 4/20 0.43
▸ LRRK2 Q5S007 4/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ CDC7 O00311 2/20 0.40
▸ DAPK3 O43293 2/20 0.40
▸ PAK4 O96013 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ PRKX P51817 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ MELK Q14680 2/20 0.40
▸ HIPK2 Q9H2X6 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ STK17A Q9UEE5 2/20 0.40
▸ MAP4K5 Q9Y4K4 2/20 0.40
▸ PLK4 O00444 1/20 0.40

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
SCHEMBL12826078 0.90 ROCK2 (0.44) TTKROCK2ULK1LRRK2MAPK1
SCHEMBL12825311 0.89 ROCK2 (0.53) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12826136 0.87 TTK (0.50) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12825520 0.80 JAK2 (0.59) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12825525 0.79 GSK3B (0.56) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12825861 0.77 ROCK2 (0.57) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12825860 0.77 ROCK2 (0.57) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12825406 0.77 TTK (0.66) TTKROCK2PLK4CHEK2AURKB
SCHEMBL12826120 0.77 ROCK2 (0.47) TTKROCK2ULK1MAPK1CDC7
SCHEMBL12826077 0.77 ULK1 (0.46) TTKROCK2ULK1MAPK1CDC7

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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