SCHEMBL30367399

SCHEMBL30367399

CC(C)C(=O)N1CCC(c2cc(-c3ccc(N)cc3)c3c(N)n[nH]c(=O)c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.42
TLR8 Q9NR97 3/20 0.42
BTK Q06187 12/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
DGAT1 O75907 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL30367097 0.80 BTK (0.44) TLR9TLR8BTKROCK2
SCHEMBL30367384 0.79 MAPK1 (0.40) TLR9TLR8ROCK2ROCK1TLR7
SCHEMBL30367356 0.79 DGAT1 (0.42) TLR9TLR8TLR7DGAT1MAPK1
SCHEMBL30367296 0.77 MAPK1 (0.39) TLR9TLR8BTKTLR7DGAT1
Trifluoroacetic Acid SCHEMBL29052474 0.74 DGAT1 (0.44) BTKDGAT1MAPK1
Trifluoroacetic Acid SCHEMBL30367156 0.74 DGAT1 (0.44) BTKDGAT1MAPK1
SCHEMBL30367699 0.72 KDM1A (0.41) TLR9TLR8DGAT1MAPK1
SCHEMBL30367711 0.71 TLR9 (0.38) TLR9TLR8BTKTLR7DGAT1
SCHEMBL30367527 0.70 MERTK (0.38) TLR9TLR8BTKMAPK1
SCHEMBL30367001 0.68 DGAT1 (0.39) TLR9TLR8BTKTLR7DGAT1

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
WO-2023051464-A1 PYRAZOLOPYRIDINE COMPOUNDS AS TAM INHIBITORS SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2023-04-06 WO disclosed