SCHEMBL21257715

SCHEMBL21257715

CCOC(=O)c1ccnc(CN2CCCN(CCN(C)C)C(=S)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 5/20 0.47
▸ KDM5C P41229 3/20 0.47
▸ KDM4C Q9H3R0 3/20 0.47
▸ KDM5A P29375 3/20 0.47
▸ JMJD6 Q6NYC1 9/20 0.44
▸ PIK3CA P42336 1/20 0.41
▸ POLB P06746 1/20 0.36
▸ KDM5D Q9BY66 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL21257814 0.90 KDM5B (0.48) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257708 0.88 KDM4C (0.50) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257697 0.81 PIK3CA (0.46) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257802 0.79 JMJD6 (0.43) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257809 0.77 KDM4C (0.51) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL17145118 0.76 JMJD6 (0.46) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257580 0.75 PIK3CA (0.41) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257826 0.73 KDM5B (0.44) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257855 0.72 KDM5B (0.45) KDM5BKDM5CKDM4CKDM5AJMJD6
SCHEMBL21257600 0.71 KDM5C (0.46) KDM5BKDM5CKDM4CKDM5AJMJD6

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-2019154261-A1 PYRIDINE DERIVATIVE RELATED TO KMD5 PATHWAY 南京明德新药研发股份有限公司 2019-08-15 — — WO disclosed
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