SCHEMBL22448370

SCHEMBL22448370

CCCC[C@H](CO)Nc1ncnc2c(C)csc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 14/20 0.48
▸ TLR8 Q9NR97 5/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ LPAR1 Q92633 9/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ADRB3 P13945 1/20 0.38
▸ TSPO P30536 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ LPAR4 Q99677 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL17829998 0.83 TLR8 (0.42) LPAR2TLR8TLR7LPAR1
SCHEMBL22448327 0.81 TLR8 (0.54) TLR8TLR7
SCHEMBL17829993 0.81 TLR8 (0.54) TLR8TLR7
SCHEMBL17829994 0.81 TLR8 (0.54) TLR8TLR7
SCHEMBL18430122 0.78 TLR8 (0.54) TLR8TLR7
SCHEMBL22448368 0.75 CRHR1 (0.41) LPAR2TLR8TLR7LPAR1
SCHEMBL23472261 0.74 TLR8 (0.44) TLR8TLR7
SCHEMBL22448324 0.73 TLR8 (0.53) TLR8TLR7
SCHEMBL17829990 0.73 TLR8 (0.53) TLR8TLR7
SCHEMBL17829995 0.73 KCNH2 (0.57) TLR8TLR7

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-3404031-B1 THIENO[3,2-D]PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-09-23 — — EP disclosed
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