SCHEMBL23472446

SCHEMBL23472446

C=Cc1ncc(O[C@H](C)c2ccccc2)c(NCCCC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 4/20 0.39
▸ SRC P12931 4/20 0.37
▸ ABL1 P00519 3/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ TLR7 Q9NYK1 3/20 0.36
▸ FLT3 P36888 5/20 0.36
▸ TYRO3 Q06418 4/20 0.36
▸ MERTK Q12866 4/20 0.36
▸ GAS6 Q14393 4/20 0.36
▸ AXL P30530 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ ADORA1 P30542 1/20 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
SCHEMBL23472189 0.84 TLR8 (0.41) TLR8SRCABL1CASP6TLR7
SCHEMBL20219679 0.83 TLR8 (0.40) TLR8SRCABL1CASP6TLR7
SCHEMBL13195744 0.83 TLR8 (0.50) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL15469963 0.83 TLR8 (0.50) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL15469961 0.83 TLR8 (0.50) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL15469957 0.81 TLR8 (0.47) TLR8TLR7CYP1A2CYP2D6L3MBTL1
SCHEMBL20219420 0.80 CALM1 (0.35) TLR8
SCHEMBL20219506 0.78 SRC (0.44) TLR8SRCABL1TLR7CYP1A2
SCHEMBL20219474 0.76 TLR8 (0.33) TLR8TLR7FLT3TYRO3MERTK
SCHEMBL23472515 0.76 APP (0.47) TLR8SRCTLR7CYP1A2CYP2D6

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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