SCHEMBL19258011

SCHEMBL19258011

Cn1cc(-c2cc(NC3CC4CCC3CC4)c(F)cn2)c2cncnc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 14/20 0.34
▸ TLR9 Q9NR96 3/20 0.34
▸ TLR8 Q9NR97 3/20 0.34
▸ TLR7 Q9NYK1 3/20 0.34
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL19684530 0.63 NTRK1 (0.40) NTRK1
SCHEMBL14236197 0.60 IRAK4 (0.44) NTRK1TLR9TLR8TLR7
SCHEMBL19259010 0.59 GABBR2 (0.53) —
SCHEMBL13041959 0.56 NTRK1 (0.37) NTRK1TLR9TLR8TLR7
SCHEMBL11922157 0.56 NTRK1 (0.37) NTRK1
SCHEMBL13616224 0.55 BRD4 (0.42) NTRK1TLR9TLR8TLR7
SCHEMBL30968079 0.55 NTRK1 (0.36) NTRK1TLR9TLR8TLR7
SCHEMBL27975444 0.55 LRRK2 (0.42) NTRK1TLR9TLR8TLR7
SCHEMBL16091256 0.55 NTRK1 (0.36) NTRK1TLR9TLR8TLR7
SCHEMBL19325285 0.54 TLR9 (0.37) NTRK1TLR9TLR8TLR7

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-2017133669-A1 5, 7-DIAZAINDOLE AND 5, 7-DIAZAINDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
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