SCHEMBL30786141

SCHEMBL30786141

C=Cc1ccc(CN(CC)CC)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL30786186 1.00 HRH3 (0.47) HRH3KDM4EL3MBTL1HDAC8HDAC6
SCHEMBL30786193 0.83 KDM4E (0.39) HRH3KDM4EL3MBTL1
SCHEMBL30786149 0.81 CHRNB2 (0.44) HRH3KDM4EL3MBTL1HDAC6
SCHEMBL15007 0.79 KDM4E (0.61) HRH3KDM4EL3MBTL1
SCHEMBL20038511 0.76 HRH3 (0.52) HRH3HDAC8HDAC6
SCHEMBL19735731 0.76 KDM4E (0.45) KDM4EL3MBTL1
SCHEMBL7499051 0.74 HRH3 (0.50) HRH3KDM4EHDAC8HDAC6
SCHEMBL1126370 0.74 HRH3 (0.50) HRH3HDAC8HDAC6
SCHEMBL5048184 0.74 HRH3 (0.50) HRH3KDM4EL3MBTL1
SCHEMBL20038509 0.74 HRH3 (0.50) HRH3HDAC8HDAC6

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-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed