SCHEMBL3948397

SCHEMBL3948397

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.45
AKT2 P31751 4/20 0.45
AKT3 Q9Y243 4/20 0.45
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
PTK2B Q14289 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LCK P06239 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.30
ENPP1 P22413 1/20 0.30
NOD2 Q9HC29 1/20 0.30

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 0.84 AKT1 (0.47) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL16250555 0.84 AKT1 (0.47) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL16250556 0.83 AKT1 (0.49) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL16488556 0.82 AKT2 (0.48) AKT1AKT2AKT3LMNASMN1; SMN2
SCHEMBL16250573 0.81 AKT1 (0.48) AKT1AKT2AKT3SMN1; SMN2HTT
SCHEMBL3944642 0.80 AKT1 (0.44) AKT1AKT2AKT3LMNAHTT
SCHEMBL22533475 0.80 AKT1 (0.44) AKT1AKT2AKT3LMNAHTT
SCHEMBL8220458 0.80 AKT1 (0.47) AKT1AKT2AKT3LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2262653 0.79 AKT1 (0.44) AKT1AKT2AKT3LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2262657 0.79 AKT1 (0.44) AKT1AKT2AKT3LMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694485-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE Genentech, Inc. (US) 2014-02-12 EP disclosed
WO-2012135750-A1 COMBINATIONS OF AKT INHIBITOR COMPOUNDS AND VEMURAFENIB, AND METHODS OF USE GENENTECH, INC. (US) 2012-10-04 WO disclosed
EP-2049500-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-04-22 EP disclosed
WO-2008006032-A1 CYCLOPENTA [D] PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-01-10 WO disclosed