SCHEMBL10159535

SCHEMBL10159535

CNCCCO[C@H](c1ccc(Cl)cc1)C1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.41
GSK3B P49841 1/20 0.41
FPR2 P25090 3/20 0.40
PROKR1 Q8TCW9 3/20 0.40
RPS6KB1 P23443 7/20 0.40
AKT1 P31749 6/20 0.39
AKT3 Q9Y243 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL10158964 0.93 AKT2 (0.43) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473333 0.89 RPS6KB1 (0.48) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473338 0.87 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL29894639 0.87 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473379 0.87 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473380 0.87 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473369 0.86 RPS6KB1 (0.45) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473372 0.86 RPS6KB1 (0.45) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473347 0.85 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1
SCHEMBL473348 0.85 RPS6KB1 (0.53) AKT2GSK3BFPR2PROKR1RPS6KB1

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-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP disclosed