SCHEMBL30284901

SCHEMBL30284901

O=C1Nc2ncc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)cc2C12CCOCC2

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 18/20 0.62
▸ CCNK O75909 1/20 0.58
▸ CCNA2 P20248 1/20 0.58
▸ CDK2 P24941 1/20 0.58
▸ CDK12 Q9NYV4 1/20 0.58
▸ CCR7 P32248 2/20 0.45
▸ CXCR3 P49682 1/20 0.42

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
SCHEMBL26461008 1.00 CCR6 (0.62) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26461000 0.95 CCR6 (0.67) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284864 0.95 CCR6 (0.67) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284788 0.90 CCR6 (0.63) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26460984 0.90 CCR6 (0.63) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25082879 0.85 CCR6 (0.45) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284786 0.84 CCR6 (0.68) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079459 0.84 CCR6 (0.68) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL26527123 0.83 CCR6 (0.51) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079810 0.82 CCR6 (0.56) 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-4387965-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 — — EP disclosed
WO-2023023534-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 — — WO disclosed
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