SCHEMBL13601387

SCHEMBL13601387

C=C1c2ccccc2C(=O)N1C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Cl)n(-c2c(Cl)cnn2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.46
AKT2 P31751 3/20 0.46
AKT3 Q9Y243 3/20 0.46
ROCK1 Q13464 3/20 0.46
ROCK2 O75116 2/20 0.46
PRKCB P05771 2/20 0.46
PRKCA P17252 2/20 0.46
PRKACA P17612 2/20 0.46
PRKACB P22694 2/20 0.46
PKN1 Q16512 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
CIT O14578 1/20 0.46
SGK1 O00141 1/20 0.35
PRKD3 O94806 1/20 0.35
LATS1 O95835 1/20 0.35
PRKCG P05129 1/20 0.35
RPS6KB1 P23443 1/20 0.35
PRKCH P24723 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL1572092 0.95 AKT1 (0.48) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL13601556 0.88 AKT1 (0.41) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572673 0.83 ROCK1 (0.61) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572750 0.83 AKT1 (0.48) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572737 0.82 AKT1 (0.43) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL13601386 0.77 AKT1 (0.39) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1529820 0.74 AKT1 (0.78) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1592316 0.74 AKT1 (0.60) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1530027 0.74 AKT1 (0.66) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1539506 0.74 AKT1 (0.61) AKT1AKT2AKT3ROCK1ROCK2

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
WO-2009158371-A1 INHIBITORS OF AKT ACTIVITY SMITHKLIKE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed