SCHEMBL13601559

SCHEMBL13601559

Cc1cnn(C)c1-n1nc(C(=O)N[C@H](CN)Cc2ccc(F)c(F)c2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.53
AKT2 P31751 3/20 0.53
AKT3 Q9Y243 3/20 0.53
ROCK2 O75116 2/20 0.53
PRKCB P05771 2/20 0.53
PRKCA P17252 2/20 0.53
PRKACA P17612 2/20 0.53
PRKACB P22694 2/20 0.53
ROCK1 Q13464 2/20 0.53
PKN1 Q16512 2/20 0.53
PRKD2 Q9BZL6 2/20 0.53
SGK1 O00141 1/20 0.53
PRKD3 O94806 1/20 0.53
LATS1 O95835 1/20 0.53
PRKCG P05129 1/20 0.53
RPS6KB1 P23443 1/20 0.53
PRKCH P24723 1/20 0.53
MARK3 P27448 1/20 0.53
PRKCI P41743 1/20 0.53
CSNK1A1 P48729 1/20 0.53

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
SCHEMBL1572075 0.91 AKT1 (0.60) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1926316 0.76 AKT1 (0.61) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529324 0.75 AKT1 (0.59) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529674 0.75 AKT1 (0.71) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529507 0.74 AKT1 (0.85) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1572686 0.73 AKT1 (0.61) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL15809977 0.71 AKT1 (0.53) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529493 0.70 AKT1 (0.85) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL14114893 0.70 AKT1 (0.72) AKT1AKT2AKT3ROCK2PRKCB
SCHEMBL1529432 0.70 AKT1 (0.72) AKT1AKT2AKT3ROCK2PRKCB

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