SCHEMBL30202196

SCHEMBL30202196

Cc1cnc(C#N)c(C)c1Br

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL13480742 0.80 CCR1 (0.38) KDM4EALDH1A1POLBCCR1CCR5
SCHEMBL1703322 0.76 KDM4E (0.31) KDM4EALDH1A1POLB
SCHEMBL16836800 0.75 KDM4E (0.40) KDM4EALDH1A1POLBCCR1CCR5
SCHEMBL14438199 0.72 CCR1 (0.37) CCR1CCR5CCR8
SCHEMBL24039918 0.72 KDM4E (0.34) KDM4EALDH1A1POLB
SCHEMBL34468447 0.72 USP8 (0.33) KDM4EALDH1A1POLB
SCHEMBL21938067 0.72 KDM4E (0.34) KDM4EALDH1A1POLB
SCHEMBL7672194 0.72 AGXT (0.46) KDM4EALDH1A1POLB
SCHEMBL2076123 0.71 CHEK1 (0.37) KDM4EALDH1A1POLB
SCHEMBL8870206 0.69 HSP90AA1 (0.34) KDM4EALDH1A1

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