SCHEMBL13601556

SCHEMBL13601556

C=C1c2ccccc2C(=O)N1C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Cl)n(-c2ccnn2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
AKT2 P31751 3/20 0.41
AKT3 Q9Y243 3/20 0.41
ROCK1 Q13464 3/20 0.40
ROCK2 O75116 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACB P22694 2/20 0.40
PKN1 Q16512 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
CIT O14578 1/20 0.40
PIN1 Q13526 5/20 0.34
KMT2A Q03164 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
SCD O00767 2/20 0.32

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
SCHEMBL1572737 0.95 AKT1 (0.43) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL13601387 0.88 AKT1 (0.46) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL13601386 0.87 AKT1 (0.39) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572479 0.83 AKT1 (0.55) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572092 0.82 AKT1 (0.48) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1573014 0.81 AKT1 (0.43) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1571997 0.81 AKT1 (0.41) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL12531544 0.80 ROCK1 (0.53) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1529836 0.74 AKT1 (0.58) AKT1AKT2AKT3ROCK1ROCK2
SCHEMBL1572750 0.73 AKT1 (0.48) 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