SCHEMBL31114809

SCHEMBL31114809

Cc1cc(F)cnc1[C@H](Nc1c(Nc2ccnc(C(=O)N(C)CC(F)(F)F)c2O)c(=O)c1=O)C1(C)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 3/20 0.60
▸ CCR7 P32248 1/20 0.60
▸ CXCR2 P25025 19/20 0.46
▸ CXCR1 P25024 13/20 0.46
▸ CXCR3 P49682 2/20 0.38
▸ CCR4 P51679 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
SCHEMBL31114657 0.90 CCR6 (0.72) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114815 0.88 CCR6 (0.63) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114685 0.88 CCR6 (0.54) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114817 0.85 CCR6 (0.71) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114718 0.83 CCR6 (0.69) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114660 0.83 CCR6 (0.55) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114753 0.83 CCR6 (0.74) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114715 0.82 CCR6 (0.67) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114831 0.82 CCR6 (0.60) CCR6CCR7CXCR2CXCR1CXCR3
SCHEMBL31114710 0.81 CCR6 (0.72) 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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