SCHEMBL538716

SCHEMBL538716

Fc1ccc(-c2cc3nc(-c4ccc(NC5CCC5)cc4)c(-c4ccccc4)cn3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.41
CSNK1D P48730 6/20 0.41
CSNK1E P49674 6/20 0.41
AKT2 P31751 2/20 0.39
CALCA P06881 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MERTK Q12866 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL538092 0.95 ADORA1 (0.39) AKT1AKT2MEN1KMT2AKDM4E
SCHEMBL538707 0.93 MAP4K4 (0.42) AKT1CSNK1DCSNK1EAKT2MEN1
SCHEMBL538827 0.87 ALOX5 (0.45) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL538545 0.77 AKT1 (0.38) AKT1AKT2MAPT
SCHEMBL868195 0.76 AKT1 (0.67) AKT1AKT2
SCHEMBL539284 0.76 MEN1 (0.47) AKT1AKT2MEN1KMT2AALDH1A1
SCHEMBL538266 0.75 AKT1 (0.40) AKT1AKT2MEN1KMT2AKDM4E
SCHEMBL538833 0.73 AKT1 (0.37) AKT1MEN1KMT2AALDH1A1GAA
SCHEMBL10167543 0.71 AKT1 (0.51) AKT1AKT2
SCHEMBL538391 0.71 AKT1 (0.51) AKT1AKT2

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-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP claimed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO claimed
EP-2413932-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114780-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed