SCHEMBL3789036

SCHEMBL3789036

O=C(O)NC1(c2ccc(-c3nc4c(I)cnc(O)c4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.41
AKT2 P31751 10/20 0.40
TACR3 P29371 2/20 0.39
PDE2A O00408 4/20 0.37
AKT3 Q9Y243 2/20 0.35
SCN9A Q15858 1/20 0.35
FECH P22830 1/20 0.35

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
SCHEMBL12133126 0.88 AKT1 (0.46) AKT1AKT2TACR3PDE2A
SCHEMBL3786179 0.83 AKT1 (0.38) AKT1AKT2TACR3PDE2ASCN9A
SCHEMBL1352355 0.80 AKT1 (0.38) AKT1AKT2AKT3FECH
SCHEMBL12506640 0.78 AKT1 (0.45) AKT1AKT2TACR3PDE2ASCN9A
SCHEMBL3776186 0.78 ADORA1 (0.37) AKT1
SCHEMBL2025815 0.77 AKT1 (0.45) AKT1AKT2TACR3AKT3FECH
SCHEMBL12506520 0.77 AKT1 (0.47) AKT1AKT2TACR3AKT3
SCHEMBL3854158 0.76 AKT1 (0.45) AKT1AKT2TACR3AKT3SCN9A
SCHEMBL12506551 0.76 AKT1 (0.41) AKT1AKT2TACR3PDE2ASCN9A
SCHEMBL3710730 0.76 ADK (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 WO disclosed