SCHEMBL16486305

SCHEMBL16486305

CCCCc1nc2c(N)nc(N)c(CCCC)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA3 P0DMS8 3/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2A P29274 2/20 0.34
PARP1 P09874 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GPR84 Q9NQS5 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
SCHEMBL31260402 0.80 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL9038851 0.74 PARP1 (0.57) PARP1TLR8TLR7
SCHEMBL3922879 0.72 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL31260407 0.72 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29871746 0.72 TLR7 (0.48) PI4KAPI4K2BPI4K2API4KBTLR8
SCHEMBL30663229 0.71 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29109863 0.71 PI4KA (0.40) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL32675794 0.70 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL30663228 0.70 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL29840892 0.70 TLR8 (0.41) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed