SCHEMBL4738154

SCHEMBL4738154

NCC1CN(c2ncnc3[nH]ccc23)CCO1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.64
CHEK2 O96017 7/20 0.64
JAK3 P52333 5/20 0.62
AKT2 P31751 2/20 0.62
GSK3B P49841 2/20 0.62
DOT1L Q8TEK3 2/20 0.56
KIT P10721 1/20 0.54
HTR2C P28335 1/20 0.53
LCK P06239 1/20 0.53
JAK2 O60674 1/20 0.50

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
SCHEMBL4737158 0.83 JAK3 (0.54) JAK3AKT2GSK3BDOT1LKIT
SCHEMBL4738959 0.83 HRH4 (0.55) CHEK1CHEK2JAK3AKT2GSK3B
SCHEMBL21788682 0.80 CHEK1 (0.70) CHEK1CHEK2
SCHEMBL14162955 0.78 JAK3 (0.49) JAK3AKT2DOT1LJAK2
SCHEMBL13221971 0.78 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL13221984 0.78 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL3118976 0.78 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL4127724 0.78 DOT1L (0.73) JAK3AKT2GSK3BDOT1LKIT
SCHEMBL31499276 0.77 JAK3 (1.00) JAK3AKT2GSK3BDOT1LKIT
SCHEMBL1333081 0.77 JAK3 (1.00) JAK3AKT2GSK3BDOT1LKIT

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