SCHEMBL4740317

SCHEMBL4740317

CCOC(=O)c1cnc2[nH]nc(Br)c2c1N1CCOC(CNC(=O)OC(C)(C)C)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
CHEK2 O96017 2/20 0.53
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.34
PDE4B Q07343 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
GAA P10253 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA1 P30542 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL14162950 0.86 CHEK1 (0.38) CHEK1CHEK2CKS1BSKP1SKP2
SCHEMBL4740157 0.86 CHEK1 (0.73) CHEK1CHEK2MAPK1USP2TP53
SCHEMBL4739614 0.85 CHEK1 (0.72) CHEK1CHEK2MAPK1USP2TP53
SCHEMBL763191 0.77 CHEK1 (0.43) CHEK1CHEK2HSD17B10ADORA3ADORA2A
SCHEMBL14162790 0.76 CHEK1 (0.63) CHEK1CHEK2MAPK1CKS1BSKP1
SCHEMBL4735382 0.76 CHEK1 (0.58) CHEK1CHEK2PDE4BCKS1BSKP1
SCHEMBL753721 0.75 HPGD (0.47) CHEK1CHEK2CKS1BSKP1SKP2
SCHEMBL14162946 0.72 CHEK1 (0.52) CHEK1CHEK2MAPK1PDE4BCKS1B
SCHEMBL14162993 0.72 CHEK1 (0.37) CHEK1CHEK2CKS1BSKP1SKP2
SCHEMBL14163053 0.71 CHEK1 (0.68) CHEK1CHEK2MAPK1USP2TP53

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