SCHEMBL31114709

SCHEMBL31114709

Cc1cccnc1C(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C1(C)CC(F)(F)CO1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.55
▸ CXCR1 P25024 19/20 0.55
▸ CXCR3 P49682 2/20 0.54
▸ CXCR6 O00574 1/20 0.54
▸ ACKR3 P25106 1/20 0.54
▸ CXCR4 P61073 1/20 0.54
▸ CCR6 P51684 1/20 0.54
▸ CCR7 P32248 1/20 0.50

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
SCHEMBL31114829 0.89 CCR6 (0.56) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114646 0.89 CCR6 (0.56) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114695 0.89 CXCR2 (0.45) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114682 0.89 CXCR2 (0.45) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114758 0.87 CXCR2 (0.54) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL32680107 0.85 CCR6 (0.49) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114824 0.78 CCR6 (0.54) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114720 0.78 CCR6 (0.54) CXCR2CXCR1CXCR3CXCR6ACKR3
SCHEMBL31114807 0.78 CCR6 (0.63) CXCR2CXCR1CXCR3CCR6CCR7
SCHEMBL31114739 0.77 CCR6 (0.48) CXCR2CXCR1CXCR3CCR6CCR7

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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