SCHEMBL4736583

SCHEMBL4736583

O=C(O)NCC1CN(c2ncnc3[nH]c(=O)[nH]c23)CCO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.46
FFAR2 O15552 10/20 0.44
CHEK2 O96017 5/20 0.44
AKT2 P31751 2/20 0.43
LRRK2 Q5S007 1/20 0.39
PRKCQ Q04759 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL14163061 0.86 CHEK1 (0.41) CHEK1FFAR2CHEK2AKT2LRRK2
SCHEMBL4739449 0.85 CHEK1 (0.63) CHEK1FFAR2CHEK2AKT2LRRK2
SCHEMBL4737095 0.82 MAPK1 (0.39) CHEK1CHEK2
SCHEMBL14162973 0.81 CHEK1 (0.44) CHEK1FFAR2CHEK2AKT2LRRK2
SCHEMBL4735976 0.81 CHEK1 (0.38) CHEK1CHEK2AKT2
SCHEMBL4737158 0.79 JAK3 (0.54) AKT2
SCHEMBL4736588 0.79 AKT2 (0.39) CHEK1FFAR2CHEK2AKT2
SCHEMBL4736887 0.78 CHEK1 (0.51) CHEK1CHEK2
SCHEMBL14875407 0.69 CHEK1 (0.49) CHEK1CHEK2
SCHEMBL4735212 0.69 HRH4 (0.48) CHEK1CHEK2

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