SCHEMBL13189604

SCHEMBL13189604

CCO/C=C/c1cnc(C)nc1NCCCNC(=O)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
IKBKE Q14164 2/20 0.43
CDK2 P24941 1/20 0.43
MARK3 P27448 1/20 0.43
BRSK2 Q8IWQ3 1/20 0.43
AURKB Q96GD4 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
PDPK1 O15530 2/20 0.41
STK17A Q9UEE5 2/20 0.41
MARK4 Q96L34 1/20 0.41
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL1284631 0.90 TBK1 (0.44) TBK1KDM4EUSP2ALDH1A1LMNA
SCHEMBL13432088 0.78 TBK1 (0.67) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL1617905 0.76 TBK1 (0.47) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL23331347 0.71 TBK1 (0.50) TBK1KDM4EUSP2ALDH1A1LMNA
SCHEMBL22818572 0.69 STK17B (0.59) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL1284433 0.68 STK17B (0.46) LMNAMAPTSTK17A
SCHEMBL1284430 0.68 STK17B (0.46) LMNAMAPTSTK17A
SCHEMBL4182957 0.67 STK17A (0.38) KDM4EALDH1A1LMNASTK17A
SCHEMBL22818574 0.67 ULK1 (0.52) TBK1IKBKECDK2MARK3BRSK2
SCHEMBL15188869 0.67 TBK1 (0.50) TBK1IKBKECDK2MARK3BRSK2

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-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO disclosed