SCHEMBL31114643

SCHEMBL31114643

CN(C)C(=O)c1nccc(Nc2c(N[C@@H](c3nc(C(F)F)ccc3F)C3(C)CCCC3)c(=O)c2=O)c1O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 3/20 0.67
▸ CCR7 P32248 1/20 0.67
▸ CXCR2 P25025 18/20 0.46
▸ CXCR1 P25024 16/20 0.44
▸ CXCR3 P49682 2/20 0.40
▸ CXCR6 O00574 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ CXCR4 P61073 1/20 0.39

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
SCHEMBL31114728 0.91 CCR6 (0.69) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114820 0.90 CCR6 (0.68) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114691 0.88 CCR6 (0.66) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114651 0.88 CCR6 (0.65) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114828 0.88 CCR6 (0.65) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114714 0.87 CCR6 (0.70) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114656 0.86 CCR6 (0.50) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114798 0.86 CCR6 (0.71) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114688 0.85 CCR6 (0.73) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114672 0.85 CCR6 (0.69) CCR6CCR7CXCR2CXCR1CXCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4703354-A1 COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Wuhan Createrna Science and Technology Co.,Ltd. (CN) 2026-03-04 — — EP disclosed
WO-2024222865-A1 COMPOUND AS CCR6 ANTAGONIST, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 武汉朗来科技发展有限公司 2024-10-31 — — WO disclosed
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