SCHEMBL31531179

SCHEMBL31531179

Cc1ccc(F)nc1C1(Nc2c(Nc3ccnc(C(=O)N(C)C)c3O)c(=O)c2=O)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 16/20 0.53
▸ CCR7 P32248 1/20 0.53
▸ CXCR2 P25025 4/20 0.46

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
SCHEMBL31531216 0.83 CCR6 (0.68) CCR6CCR7CXCR2
SCHEMBL31531074 0.81 CCR6 (0.65) CCR6CCR7CXCR2
SCHEMBL31114662 0.81 CCR6 (0.74) CCR6CCR7CXCR2
SCHEMBL31531131 0.79 CCR6 (0.65) CCR6CCR7CXCR2
SCHEMBL31531210 0.77 CCR6 (0.67) CCR6CCR7CXCR2
SCHEMBL31114728 0.76 CCR6 (0.69) CCR6CCR7CXCR2
SCHEMBL31114658 0.75 CCR6 (0.77) CCR6CCR7CXCR2
SCHEMBL31114772 0.74 CCR6 (0.68) CCR6CCR7CXCR2
SCHEMBL32680106 0.74 CCR6 (0.65) CCR6CCR7CXCR2
SCHEMBL31114730 0.73 CCR6 (0.66) CCR6CCR7CXCR2

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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