SCHEMBL19569138

SCHEMBL19569138

Cc1c(-c2nc3c(s2)CNCC3)ccnc1Cl

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 15/20 0.59
CD274 Q9NZQ7 15/20 0.59
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
OGA O60502 1/20 0.36
APEX1 P27695 1/20 0.34
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32

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
SCHEMBL20324274 0.81 PDCD1 (0.66) PDCD1CD274TLR9TLR8TLR7
SCHEMBL19549734 0.76 PDCD1 (0.60) PDCD1CD274TLR9TLR8TLR7
SCHEMBL19549722 0.75 PDCD1 (0.82) PDCD1CD274
SCHEMBL30504422 0.75 CD274 (0.68) PDCD1CD274TLR9TLR8TLR7
SCHEMBL19549776 0.74 CD274 (1.00) PDCD1CD274TLR9TLR8TLR7
SCHEMBL19549793 0.74 CD274 (1.00) PDCD1CD274TLR9TLR8TLR7
Bromide SCHEMBL437878 0.74 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL14305113 0.72 PDCD1 (0.58) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933482 0.72 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933625 0.72 PDCD1 (0.48) PDCD1CD274TLR9TLR8TLR7

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-2017192961-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2017-11-09 WO disclosed