SCHEMBL29264680

SCHEMBL29264680

CN1C(=O)C2(CCNCC2)c2cc(-c3ccc(S(=O)(=O)N4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.61
▸ CDK2 P24941 4/20 0.61
▸ CCNK O75909 2/20 0.61
▸ CDK12 Q9NYV4 2/20 0.61
▸ CCR6 P51684 15/20 0.61
▸ CCR7 P32248 1/20 0.45
▸ CXCR3 P49682 1/20 0.44

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
SCHEMBL29264669 0.91 CCR6 (0.59) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL25079824 0.86 CCR6 (0.64) CCNA2CDK2CCNKCDK12CCR6
Hydrochloric Acid SCHEMBL30284807 0.85 CCR6 (0.63) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL30284786 0.81 CCR6 (0.68) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL25079459 0.81 CCR6 (0.68) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL26460934 0.81 CCNA2 (0.63) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL25079850 0.80 CCR6 (0.75) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL25079916 0.79 CCR6 (0.67) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL25079890 0.79 CCR6 (0.67) CCNA2CDK2CCNKCDK12CCR6
SCHEMBL30284864 0.79 CCR6 (0.67) CCNA2CDK2CCNKCDK12CCR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019735-A Arylsulfonyl compounds as CCR6 inhibitors 坎莫森特里克斯公司 2024-05-10 — — CN disclosed
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