SCHEMBL4736588

SCHEMBL4736588

CN(C(=O)O)C1CN(c2ncnc3[nH]c(=O)[nH]c23)CCO1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.39
FFAR2 O15552 10/20 0.38
JAK1 P23458 1/20 0.38
CHEK1 O14757 5/20 0.37
CHEK2 O96017 4/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL4736583 0.79 CHEK1 (0.46) AKT2FFAR2CHEK1CHEK2
SCHEMBL4737164 0.79 JAK1 (0.59) JAK1JAK2JAK3
SCHEMBL4739449 0.76 CHEK1 (0.63) AKT2FFAR2CHEK1CHEK2
SCHEMBL14163061 0.72 CHEK1 (0.41) AKT2FFAR2CHEK1CHEK2
SCHEMBL14162973 0.71 CHEK1 (0.44) AKT2FFAR2CHEK1CHEK2
SCHEMBL4735201 0.69 HRH4 (0.48) JAK1JAK2JAK3
SCHEMBL3490701 0.67 AKT2 (0.64) AKT2
SCHEMBL1002593 0.67 AKT2 (0.57) AKT2FFAR2CHEK1CHEK2
SCHEMBL1003219 0.66 HTR2C (0.50) AKT2
SCHEMBL4738636 0.66 AOC3 (0.31)

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
WO-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed