SCHEMBL5493914

SCHEMBL5493914

c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4nc(-c5cccnc5)no4)CC3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.72
AKT2 P31751 12/20 0.72
LMNA P02545 2/20 0.56
TSHR P16473 1/20 0.56
PPARA Q07869 1/20 0.48
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.45
AKT3 Q9Y243 1/20 0.45
GBA1 P04062 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1501778 0.85 AKT1 (0.64) AKT1AKT2LMNATSHRKCNH2
SCHEMBL3891901 0.84 AKT1 (1.00) AKT1AKT2LMNATSHRAKT3
SCHEMBL1940085 0.83 AKT1 (0.67) AKT1AKT2LMNATSHRPPARA
SCHEMBL27711061 0.79 AKT1 (0.60) AKT1AKT2LMNATSHRPPARA
SCHEMBL5501239 0.75 AKT1 (0.68) AKT1AKT2KCNH2AKT3
SCHEMBL1501692 0.74 KCNH2 (0.64) AKT1AKT2KCNH2AKT3
SCHEMBL5501008 0.74 AKT1 (0.69) AKT1AKT2KCNH2AKT3
SCHEMBL5498279 0.74 AKT1 (0.69) AKT1AKT2KCNH2AKT3
SCHEMBL5501005 0.74 AKT1 (0.57) AKT1AKT2KCNH2AKT3
SCHEMBL5499246 0.74 AKT1 (0.75) AKT1AKT2KCNH2AKT3

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
EP-1827436-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-09-05 EP claimed
WO-2006065601-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-06-22 WO claimed