SCHEMBL23218606

SCHEMBL23218606

CCOC(=O)Cc1ccccc1OCc1nn(C(C)C)c2ccc(-c3cccc(C#N)c3OCc3cccnc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.40
PDCD1 Q15116 11/20 0.37
CD274 Q9NZQ7 11/20 0.37
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
TBXAS1 P24557 1/20 0.34
RET P07949 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL29853115 1.00 CFD (0.40) CFDPDCD1CD274HSD17B10HTT
SCHEMBL29121917 0.91 CFD (0.42) CFDHSD17B10HTTALDH1A1CYP1A2
SCHEMBL29853147 0.90 CFD (0.41) CFDHSD17B10HTTTBXAS1
SCHEMBL23218719 0.90 CFD (0.41) CFDHSD17B10HTTTBXAS1
SCHEMBL29121623 0.89 CFD (0.41) CFDHSD17B10HTTALDH1A1CYP1A2
SCHEMBL29122505 0.88 CFD (0.41) CFDHSD17B10HTTALDH1A1CYP1A2
SCHEMBL29123213 0.86 CFD (0.42) CFDHSD17B10HTTALDH1A1CYP1A2
SCHEMBL23219250 0.85 CFD (0.39) CFDPDCD1CD274TBXAS1RET
SCHEMBL29852822 0.85 CFD (0.39) CFDPDCD1CD274TBXAS1RET
SCHEMBL29122004 0.85 CFD (0.42) CFDHSD17B10HTTALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed