SCHEMBL30201783

SCHEMBL30201783

N#Cc1cn(-c2ccccc2)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.54
PDE4A P27815 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIA1 P42261 1/20 0.41
GRIA3 P42263 1/20 0.41
PDE4D Q08499 1/20 0.41
LDHA P00338 1/20 0.41
LRRK2 Q5S007 1/20 0.41
KDM4D Q6B0I6 1/20 0.39

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
SCHEMBL1668131 0.88 ELANE (0.55) ELANE
SCHEMBL12670691 0.85 RORC (0.57) ELANE
SCHEMBL16517760 0.83 PDE4A (0.56) ELANEPDE4AKCNH2
SCHEMBL1667607 0.83 ALDH1A1 (0.52) ELANE
SCHEMBL28825760 0.80 ELANE (0.44) ELANEPDE4AKCNH2
SCHEMBL8513964 0.79 ELANE (0.51) ELANELRRK2KDM4D
SCHEMBL1670142 0.77 ELANE (0.44) ELANEPDE4AKCNH2
SCHEMBL12670692 0.76 ELANE (0.54) ELANE
SCHEMBL12146949 0.76 ELANE (0.57) ELANELRRK2KDM4D
SCHEMBL16464569 0.76 ELANE (0.61) ELANELRRK2KDM4D

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