SCHEMBL23219260

SCHEMBL23219260

CC(C)n1nc(COc2ccccc2CC(=O)O)c2cc(-c3cccc(CN)c3F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 16/20 0.49
TPSB2 P20231 8/20 0.43
F11 P03951 7/20 0.43
PLAU P00749 2/20 0.43
PLG P00747 1/20 0.43
KLKB1 P03952 1/20 0.43
F7 P08709 1/20 0.43
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
ICMT O60725 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL29591431 1.00 CFD (0.49) CFDTPSB2F11PLAUPLG
SCHEMBL29592614 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL29592354 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL29591242 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL23219082 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL23218520 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL23219013 0.92 CFD (0.43) CFDTPSB2F11PLAUPLG
SCHEMBL23218886 0.91 CFD (0.42) CFDTPSB2F11PLAUPLG
SCHEMBL29591566 0.91 CFD (0.42) CFDTPSB2F11PLAUPLG
SCHEMBL23218313 0.90 CFD (0.49) CFDTPSB2F11PLAUPLG

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