SCHEMBL8220458

SCHEMBL8220458

C[C@@H]1CCc2ncnc(N3CCN(C=O)CC3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.47
AKT2 P31751 5/20 0.47
AKT3 Q9Y243 5/20 0.47
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TP53 P04637 1/20 0.32
PTK2B Q14289 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LCK P06239 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL12194052 0.83 AKT1 (0.47) AKT1AKT2AKT3LMNAHTT
SCHEMBL16250555 0.83 AKT1 (0.47) AKT1AKT2AKT3LMNAHTT
Hydrochloric Acid SCHEMBL27905413 0.83 AKT1 (0.56) AKT1AKT2AKT3
SCHEMBL16250556 0.82 AKT1 (0.49) AKT1AKT2AKT3LMNAHTT
SCHEMBL16488556 0.81 AKT2 (0.48) AKT1AKT2AKT3LMNAHTT
SCHEMBL16131674 0.80 AKT1 (0.56) AKT1AKT2AKT3KDM4E
SCHEMBL27905414 0.80 AKT1 (0.56) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL3117947 0.80 AKT1 (0.56) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL3948397 0.80 AKT1 (0.45) AKT1AKT2AKT3LMNAHTT
SCHEMBL16250573 0.80 AKT1 (0.48) AKT1AKT2AKT3HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023187037-A1 EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) TYROSINE KINASE INHIBITORS IN COMBINATION WITH AN AKT INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-10-05 WO disclosed
WO-2008006040-A1 HYDROXYLATED AND METHOXYLATED CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed