SCHEMBL4769170

SCHEMBL4769170

CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(-c3cccc(C(F)(F)F)c3)cc2C(F)(F)F)NC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 16/20 0.62
GRK2 P25098 15/20 0.62
GRK5 P34947 8/20 0.62
RPS6KA1 Q15418 2/20 0.62
RPS6KB1 P23443 1/20 0.62
GRK1 Q15835 3/20 0.52

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
SCHEMBL2567105 0.86 GRK2 (0.72) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569285 0.86 GRK2 (0.68) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2566271 0.86 GRK2 (0.68) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569710 0.84 GRK2 (0.68) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2568590 0.83 GRK2 (0.75) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2567107 0.83 GRK2 (0.77) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2569551 0.82 GRK2 (0.81) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2567122 0.81 ROCK1 (0.61) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2566585 0.80 GRK2 (0.78) ROCK1GRK2GRK5RPS6KA1RPS6KB1
SCHEMBL2565978 0.80 GRK2 (0.71) ROCK1GRK2GRK5RPS6KA1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 EP claimed
JP-2007516173-A 2007-06-21 JP claimed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 EP claimed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO claimed