SCHEMBL19785828

SCHEMBL19785828

N#Cc1c(NC(=O)c2cc(Br)c[nH]c2=O)cccc1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
IRAK4 Q9NWZ3 1/20 0.38
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
ITK Q08881 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CAMKK2 Q96RR4 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CSF1R P07333 1/20 0.34
MAP3K7 O43318 1/20 0.34
HTR1F P30939 1/20 0.33
RORC P51449 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
HSD17B1 P14061 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
SCHEMBL19785763 0.86 KDR (0.37) KDRIRAK4PDCD1CD274ITK
SCHEMBL19785493 0.82 PDCD1 (0.52) KDRIRAK4PDCD1CD274ITK
SCHEMBL19779688 0.81 RORC (0.40) IRAK4PDCD1CD274RORC
SCHEMBL19785982 0.80 KDR (0.55) KDRTAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL19779671 0.72 RORC (0.39) IRAK4PDCD1CD274TAS1R3TAS1R1
SCHEMBL19779868 0.71 RORC (0.39) IRAK4PDCD1CD274KDM4ERORC
SCHEMBL18979704 0.69 PDCD1 (0.45) IRAK4PDCD1CD274
SCHEMBL19779869 0.68 PDCD1 (0.51) IRAK4PDCD1CD274RORC
SCHEMBL19018574 0.67 PDCD1 (0.48) PDCD1CD274KDM4EMAPT
SCHEMBL19785829 0.66 TAS1R3 (0.46) KDRTAS1R3TAS1R1TAS1R2KDM4E

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-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed