SCHEMBL4779779

SCHEMBL4779779

CC(C)Nc1cccnc1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.48
IRAK4 Q9NWZ3 1/20 0.46
IDO1 P14902 1/20 0.45
BRD4 O60885 1/20 0.42
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL25466055 0.85 KDM4E (0.50) IDO1BRD4SMN1; SMN2MAPT
SCHEMBL12411094 0.82 L3MBTL1 (0.54) LRRK2IDO1BRD4POLBHTT
SCHEMBL31354326 0.82 MDM4 (0.51) IRAK4BRD4SMN1; SMN2HTT
SCHEMBL15650965 0.81 MAP2K3 (0.50) IRAK4BRD4SMN1; SMN2POLBMAPT
SCHEMBL19691222 0.79 MEN1 (0.57) IRAK4BRD4POLB
SCHEMBL15357784 0.77 BRD4 (0.68) BRD4ADORA2BSMN1; SMN2MAPTHTT
SCHEMBL28051960 0.77 MKNK1 (0.50) LRRK2IRAK4IDO1BRD4SMN1; SMN2
SCHEMBL25466053 0.75 KDM4E (0.47) IDO1BRD4SMN1; SMN2MAPT
SCHEMBL25466061 0.75 KDM4E (0.47) IDO1BRD4SMN1; SMN2MAPT
SCHEMBL27932430 0.75 GLO1 (0.54) IRAK4BRD4SMN1; SMN2HTT

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-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed