SCHEMBL16200186

SCHEMBL16200186

Cc1nn(C)c(-c2ccnc(C#N)c2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.39
▸ NPY5R Q15761 2/20 0.38
▸ XDH P47989 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PIK3R2 O00459 4/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ SLC34A1 Q06495 3/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 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
SCHEMBL16200174 0.81 DYRK1A (0.41) SLC34A1
SCHEMBL13184409 0.72 MYC (0.39) MYCNPY5RXDHABCG2PIK3R2
SCHEMBL9792895 0.71 MYC (0.62) MYCNPY5RXDHABCG2LRRK2
SCHEMBL31133396 0.71 MYC (0.62) MYCNPY5RXDHABCG2LRRK2
SCHEMBL16200290 0.70 XDH (0.46) MYCNPY5RXDHABCG2PIK3R2
SCHEMBL29239106 0.70 MYC (0.44) MYCNPY5RXDHABCG2PIK3R2
SCHEMBL15731252 0.69 MYC (0.43) MYCNPY5RXDHABCG2LRRK2
SCHEMBL14411171 0.69 CSNK1D (0.64) NPY5R
SCHEMBL2952766 0.67 MYC (0.59) MYCNPY5RXDHABCG2CYP3A4
SCHEMBL12439756 0.67 MYC (0.41) MYCNPY5RXDHABCG2PIK3R2

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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 — — EP disclosed
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