SCHEMBL29356957

SCHEMBL29356957

CC(C)[C@@H](NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)Nc1cccc(Br)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 20/20 1.00
▸ CYP3A4 P08684 1/20 0.55

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
SCHEMBL19208539 1.00 CFD (1.00) CFDCYP3A4
SCHEMBL19208427 1.00 CFD (1.00) CFDCYP3A4
SCHEMBL19208541 1.00 CFD (1.00) CFDCYP3A4
SCHEMBL29781925 1.00 CFD (1.00) CFDCYP3A4
SCHEMBL19208114 0.91 CFD (1.00) CFDCYP3A4
SCHEMBL19208116 0.91 CFD (1.00) CFDCYP3A4
SCHEMBL29782034 0.91 CFD (1.00) CFDCYP3A4
SCHEMBL19208696 0.83 CFD (0.71) CFDCYP3A4
SCHEMBL29781563 0.83 CFD (0.71) CFDCYP3A4
SCHEMBL19208695 0.83 CFD (0.71) CFDCYP3A4

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-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
CN-109121414-B Benzopyrazole compounds and analogs thereof 拜奥克里斯特制药公司 2022-07-05 — — CN disclosed
EP-3411411-B3 1H-INDAZOLE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS FACTOR D INHIBITORS FOR TREATING DISEASES CHARACTERIZED BY ABERRANT COMPLEMENT SYSTEM ACTIVITY, SUCH AS E.G. IMMUNOLOGICAL DISORDERS BIOCRYST PHARM INC (US) 2022-01-26 — — EP disclosed
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