SCHEMBL8223663

SCHEMBL8223663

CNC1=C(C(=N)N2CCN(C(=O)[C@H](CN3CCN(C)CC3)c3ccc(Cl)cc3)CC2)[C@H](C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.44
AKT2 P31751 14/20 0.44
AKT3 Q9Y243 14/20 0.44
MC4R P32245 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.36
PIK3CA P42336 1/20 0.36
PRKG1 Q13976 1/20 0.36

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
SCHEMBL14302963 0.93 AKT3 (0.44) AKT1AKT2AKT3ALDH1A1MAPT
SCHEMBL14304466 0.93 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8226862 0.93 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8223569 0.93 AKT3 (0.45) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL12323842 0.91 AKT1 (0.47) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8223666 0.90 AKT1 (0.47) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8224201 0.89 AKT1 (0.44) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8223678 0.88 AKT1 (0.40) AKT1AKT2AKT3MC4RALDH1A1
SCHEMBL14304014 0.83 AKT3 (0.54) AKT1AKT2AKT3PIK3CAPRKG1
SCHEMBL8226943 0.83 AKT3 (0.46) AKT1AKT2AKT3PIK3CAPRKG1

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-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed