SCHEMBL31531210

SCHEMBL31531210

CCC1(Nc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)CCCC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 15/20 0.67
▸ CCR7 P32248 1/20 0.55
▸ CXCR2 P25025 5/20 0.55
▸ CXCR1 P25024 3/20 0.41

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
SCHEMBL20721297 0.80 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL31114737 0.77 CCR6 (0.66) CCR6CCR7CXCR2CXCR1
SCHEMBL31114730 0.77 CCR6 (0.66) CCR6CCR7CXCR2CXCR1
SCHEMBL31114740 0.77 CCR6 (0.66) CCR6CCR7CXCR2CXCR1
SCHEMBL31531179 0.77 CCR6 (0.53) CCR6CCR7CXCR2
SCHEMBL31531216 0.77 CCR6 (0.68) CCR6CCR7CXCR2
SCHEMBL31114782 0.76 CCR6 (0.62) CCR6CCR7CXCR2CXCR1
SCHEMBL23610482 0.76 CXCR2 (0.57) CCR6CCR7CXCR2CXCR1
SCHEMBL13075315 0.76 CXCR2 (0.57) CCR6CCR7CXCR2CXCR1
SCHEMBL30631981 0.76 CXCR2 (0.57) CCR6CCR7CXCR2CXCR1

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-2025092968-A1 COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2025-05-08 — — WO disclosed
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