SCHEMBL30284751

SCHEMBL30284751

N#Cc1n[nH]c2ccc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 17/20 0.65
CCNA2 P20248 3/20 0.60
CDK2 P24941 3/20 0.60
CCNK O75909 2/20 0.60
CDK12 Q9NYV4 2/20 0.60
CCR7 P32248 1/20 0.47

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
SCHEMBL25079785 1.00 CCR6 (0.65) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079907 0.90 CCR6 (0.52) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL30284931 0.89 CCR6 (0.69) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079712 0.89 CCR6 (0.69) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL30284815 0.89 CCR6 (0.69) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079894 0.89 CCR6 (0.69) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079898 0.88 CCR6 (0.68) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL26461196 0.88 CCR6 (0.60) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL26465350 0.87 CCR6 (0.70) CCR6CCNA2CDK2CCNKCDK12
SCHEMBL25079818 0.86 CCR6 (0.65) CCR6CCNA2CDK2CCNKCDK12

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