SCHEMBL25079792

SCHEMBL25079792

O=C1Cc2cc(-c3ccc(SN4CCC(Nc5ccc(C(F)(F)F)cn5)CC4)cc3)cnc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 12/20 0.47
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
SYK P43405 5/20 0.43
CCR7 P32248 2/20 0.43
ABL1 P00519 2/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
NTRK1 P04629 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 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
SCHEMBL25079861 0.89 CCR6 (0.48) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079539 0.87 CCR6 (0.47) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079839 0.87 CCR6 (0.48) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079808 0.85 CCR6 (0.47) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079480 0.84 CCR6 (0.46) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079822 0.84 CCR6 (0.70) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL30284900 0.84 CCR6 (0.70) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079533 0.84 CCR6 (0.45) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079879 0.84 SYK (0.45) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL25079851 0.83 CCR6 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023534-A2 ARYL SULFONYL COMPOUNDS AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed