SCHEMBL4739449

SCHEMBL4739449

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

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.63
CHEK2 O96017 9/20 0.59
PRKCQ Q04759 1/20 0.48
MAP4K1 Q92918 1/20 0.48
FFAR2 O15552 4/20 0.44
AKT2 P31751 3/20 0.42
LRRK2 Q5S007 1/20 0.41

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 0.85 CHEK1 (0.46) CHEK1CHEK2PRKCQMAP4K1FFAR2
SCHEMBL14162973 0.82 CHEK1 (0.44) CHEK1CHEK2FFAR2AKT2LRRK2
SCHEMBL4740244 0.81 CHEK1 (0.49) CHEK1CHEK2PRKCQMAP4K1
SCHEMBL4739231 0.80 CHEK1 (0.50) CHEK1CHEK2PRKCQMAP4K1AKT2
SCHEMBL14163061 0.79 CHEK1 (0.41) CHEK1CHEK2FFAR2AKT2LRRK2
SCHEMBL21788682 0.77 CHEK1 (0.70) CHEK1CHEK2PRKCQMAP4K1LRRK2
SCHEMBL3916263 0.76 AKT2 (0.59) CHEK1CHEK2AKT2
SCHEMBL4736588 0.76 AKT2 (0.39) CHEK1CHEK2FFAR2AKT2
SCHEMBL4738157 0.76 CHEK1 (0.67) CHEK1CHEK2PRKCQMAP4K1FFAR2
SCHEMBL4738154 0.75 CHEK1 (0.64) CHEK1CHEK2AKT2

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