SCHEMBL21795281

SCHEMBL21795281

C[C@H]1CN(c2ccc(C#N)c3nccnc23)CC1C(=O)NC1CCN(C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 1.00
TLR7 Q9NYK1 3/20 1.00
TLR8 Q9NR97 2/20 1.00
SSTR4 P31391 5/20 0.41
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
USP30 Q70CQ3 1/20 0.35
ACKR3 P25106 1/20 0.35
PTK2 Q05397 4/20 0.35
AR P10275 2/20 0.35
METTL3 Q86U44 1/20 0.34
METTL14 Q9HCE5 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL21795280 1.00 TLR9 (1.00) TLR9TLR7TLR8SSTR4AXL
SCHEMBL21776668 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL21776672 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL21795479 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL21776673 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL21795289 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL21795386 0.90 TLR8 (0.82) TLR9TLR7TLR8SSTR4ACKR3
SCHEMBL23943083 0.88 TLR8 (0.79) TLR9TLR7TLR8SSTR4AXL
SCHEMBL21795303 0.88 TLR8 (0.79) TLR9TLR7TLR8SSTR4AXL
SCHEMBL30382225 0.88 TLR8 (0.79) TLR9TLR7TLR8SSTR4AXL

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-3844159-B1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-03 EP disclosed
WO-2020043271-A1 NOVEL PYRROLIDINYL AMIDE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-03-05 WO disclosed