SCHEMBL27627062

SCHEMBL27627062

CCCCc1nccn1CCCN

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.51
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 4/20 0.43
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
SPNS2 Q8IVW8 2/20 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
SCHEMBL27627059 0.95 TLR8 (0.54) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL3865520 0.94 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL10532493 0.94 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL10530747 0.94 TLR8 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL1075831 0.93 ALDH1A1 (0.54) TLR8ALDH1A1POLBKMT2AKCNH2
Bromide SCHEMBL1029841 0.92 ALDH1A1 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
Hydrochloric Acid SCHEMBL1029443 0.92 ALDH1A1 (0.53) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL22356840 0.92 TLR8 (0.49) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL17219025 0.92 TLR8 (0.49) TLR8ALDH1A1POLBKMT2AKCNH2
SCHEMBL1049122 0.90 ALDH1A1 (0.61) TLR8ALDH1A1POLBKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026092-A Imidazo [4,5-c] cycle compound of guanidine substitution 3M创新有限公司 2018-05-11 CN disclosed
CN-101687867-B Imidazoquinolines with immuno-modulating properties ASTRAZENECA AB 2013-10-02 CN disclosed
CN-1812789-B Sulfonamide substituted imidazoquinolines 3M INNOVATION CO LTD 2010-07-14 CN disclosed
CN-101687867-A imidazoquinolines with immuno-modulating properties ASTRAZENECA AB 2010-03-31 CN disclosed
CN-1812789-A Sulfonamide substituted imidazoquinolines 3M INNOVATION CO LTD (US) 2006-08-02 CN disclosed