SCHEMBL14895652

SCHEMBL14895652

Cc1nc(-c2cccnc2)cn1CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.50
PDE10A Q9Y233 10/20 0.44
CYP2A6 P11509 5/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2E1 P05181 2/20 0.43
CYP2B6 P20813 2/20 0.43
KCNH2 Q12809 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP2D6 P10635 1/20 0.40
CRHR1 P34998 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL2699916 0.78 VCP (0.44) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL2564085 0.78 TLR8 (0.42) TLR8CYP2A6CYP2C9CYP2C19CYP3A4
SCHEMBL2571598 0.76 RIPK3 (0.45) TLR8PDE10ACYP2C9CYP2C19CYP3A4
SCHEMBL4861475 0.75 TLR8 (0.62) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL2688873 0.73 VCP (0.41) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL6125060 0.73 VCP (0.39) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL27656597 0.73 PDE10A (0.54) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL28791761 0.73 TLR8 (0.53) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL6125039 0.71 DUSP10 (0.38) TLR8PDE10ACYP2A6CYP2C9CYP2C19
SCHEMBL6125048 0.71 VCP (0.37) TLR8PDE10ACYP2A6CYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770829-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-09-03 EP disclosed
WO-2013062980-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-05-02 WO disclosed