SCHEMBL20623765

SCHEMBL20623765

CCCCc1nc2c(N)nc3ccc(N4CCN(I)CC4)cc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.36
IP6K1 Q92551 1/20 0.35
PARP1 P09874 3/20 0.34
MAP4K4 O95819 1/20 0.34
TLR8 Q9NR97 5/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL20284106 0.91 KDM4E (0.42) TLR7PARP1TLR8
SCHEMBL23553101 0.89 HTR1A (0.41) PARP1
SCHEMBL22445008 0.89 CETP (0.41) TLR7IP6K1PARP1MAP4K4TLR8
SCHEMBL29429800 0.89 CETP (0.41) TLR7IP6K1PARP1MAP4K4TLR8
SCHEMBL22180948 0.88 TLR7 (0.36) TLR7IP6K1PARP1MAP4K4TLR8
SCHEMBL20647762 0.88 TLR7 (0.37) TLR7IP6K1PARP1MAP4K4TLR8
Hydrochloric Acid SCHEMBL22445124 0.88 CETP (0.41) TLR7IP6K1PARP1MAP4K4TLR8
SCHEMBL22445151 0.87 S1PR1 (0.36) TLR7IP6K1PARP1TLR8
SCHEMBL24634187 0.86 HTR1A (0.43) PARP1
SCHEMBL24433888 0.84 TLR7 (0.37) TLR7PARP1TLR8

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-2019006038-A1 METHODS AND COMPOSITIONS FOR DECTIN-2 STIMULATION AND CANCER IMMUNOTHERAPY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-03 WO disclosed