SCHEMBL4739231

SCHEMBL4739231

NCC1CN(c2c(Cl)cnc3[nH]c(=O)[nH]c23)CCO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.50
CHEK2 O96017 11/20 0.50
PTPN11 Q06124 1/20 0.39
PRKCQ Q04759 1/20 0.39
MAP4K1 Q92918 1/20 0.39
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.33
SLC34A1 Q06495 1/20 0.33

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
SCHEMBL14162815 0.87 CHEK1 (0.37) CHEK1CHEK2AKT1SLC34A1
SCHEMBL4735976 0.85 CHEK1 (0.38) CHEK1CHEK2AKT1AKT2SLC34A1
SCHEMBL4738157 0.83 CHEK1 (0.67) CHEK1CHEK2PRKCQMAP4K1
SCHEMBL4739449 0.80 CHEK1 (0.63) CHEK1CHEK2PRKCQMAP4K1AKT2
SCHEMBL14162993 0.79 CHEK1 (0.37) CHEK1CHEK2AKT1SLC34A1
SCHEMBL4740244 0.78 CHEK1 (0.49) CHEK1CHEK2PTPN11PRKCQMAP4K1
SCHEMBL4736887 0.70 CHEK1 (0.51) CHEK1CHEK2AKT1
SCHEMBL14162752 0.68 CHEK1 (0.77) CHEK1CHEK2PTPN11PRKCQMAP4K1
SCHEMBL21067384 0.67 CHEK1 (1.00) CHEK1CHEK2AKT2
SCHEMBL4738639 0.67 CHEK1 (1.00) 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