SCHEMBL4801840

SCHEMBL4801840

NN(C(=O)c1cc2ccccc2[nH]1)c1nc2c(s1)Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
LTK P29376 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ADORA1 P30542 2/20 0.43
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
DAO P14920 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3340839 0.75 ADORA1 (0.47) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL4882593 0.73 ADORA1 (0.44) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL4797913 0.72 HSD17B10 (0.44) CDK5FLT3KDM4EMAPTDAO
SCHEMBL4801854 0.69 FLT3 (0.35) FLT3KDM4EMAPTDAOHPGD
SCHEMBL4797971 0.67 KDM4E (0.44) CDK5FLT3KDM4EMAPTDAO
SCHEMBL4795138 0.66 RAB9A (0.46) FLT3KDM4EMAPTDAOHPGD
SCHEMBL4959981 0.65 CHEK1 (0.60) CHEK1DAPK3LTKMAPK8CSNK1A1
SCHEMBL4797498 0.64 KDM4E (0.42) FLT3KDM4EMAPTDAOHPGD
SCHEMBL378260 0.63 FLT3 (0.65) FLT3KDM4EMAPTDAOHPGD
SCHEMBL31321386 0.63 CHEK1 (1.00) CHEK1DAPK3LTKMAPK8CSNK1A1

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-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed