SCHEMBL30201864

SCHEMBL30201864

O=C1NCc2cc(-c3ccc(S(=O)(=O)N4CC[C@@H](Nc5ccc(C(F)(F)F)cn5)[C@@H](O)C4)cc3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 15/20 0.51
▸ CCNK O75909 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK12 Q9NYV4 1/20 0.48
▸ CCR7 P32248 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL25082915 1.00 CCR6 (0.51) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082643 0.89 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30201794 0.89 CCR6 (0.53) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30202163 0.89 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082716 0.89 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082729 0.89 CCR6 (0.52) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30201842 0.88 CCR6 (0.56) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26094659 0.88 CCR6 (0.56) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079858 0.88 CCR6 (0.68) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284766 0.88 CCR6 (0.68) CCR6CCNKCCNA2CDK2CDK12

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-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 — — EP disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 — — WO disclosed
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