SCHEMBL10327211

SCHEMBL10327211

C#Cc1cnc(N2CCOCC2)nc1NCC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.50
▸ RAF1 P04049 6/20 0.47
▸ BRAF P15056 6/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ IDH2 P48735 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ THRB P10828 1/20 0.43

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
SCHEMBL965836 0.92 AKT1 (0.50) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL10327354 0.87 AKT1 (0.52) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL965838 0.85 AKT1 (0.46) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL3459645 0.73 AKT1 (0.60) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL967985 0.70 MAPT (0.46) LMNAKMT2AMAPTGAAMEN1
SCHEMBL3459651 0.70 AKT1 (0.56) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL5208545 0.69 LMNA (0.63) AKT1LMNAKMT2AMAPTGAA
SCHEMBL12947024 0.68 LCK (0.50) LMNAKMT2AMAPTGAAMEN1
SCHEMBL29671886 0.68 AKT1 (0.55) AKT1RAF1BRAFLMNAKMT2A
SCHEMBL28755083 0.68 AKT1 (0.55) AKT1RAF1BRAFLMNAKMT2A

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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