SCHEMBL1900994

SCHEMBL1900994

CCCn1nc2c(N)nc3cccc(C)c3c2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 2/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ELANE P08246 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
CRHR2 Q13324 1/20 0.36
KCNH2 Q12809 2/20 0.36
ACHE P22303 4/20 0.35
POLB P06746 1/20 0.35
BCHE P06276 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35

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
SCHEMBL1898043 0.86 ELANE (0.43) TLR8TLR7ELANEMEN1KMT2A
SCHEMBL1896698 0.84 ELANE (0.38) TLR8TLR7ADORA2AELANEMEN1
SCHEMBL1901663 0.83 TLR8 (0.44) TLR8TLR7ADORA3ADORA2AMEN1
SCHEMBL1900995 0.82 HSP90AB1 (0.43) TLR8TLR7ADORA3ADORA2AELANE
SCHEMBL1898389 0.81 TLR7 (0.52) TLR8TLR7ADORA3ADORA2AMEN1
SCHEMBL5194004 0.75 TLR8 (0.58) TLR8TLR7ADORA3ADORA2AELANE
SCHEMBL1778208 0.75 TLR7 (0.51) TLR8TLR7ADORA3ADORA2AMEN1
SCHEMBL1897131 0.74 SLC6A4 (0.37) TLR8TLR7
Hydrochloric Acid SCHEMBL1897931 0.73 SLC6A4 (0.39) TLR8TLR7
SCHEMBL1898044 0.73 TLR8 (0.42) TLR8TLR7ADORA3ADORA2AELANE

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
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed