SCHEMBL21257802

SCHEMBL21257802

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 6/20 0.43
▸ PIK3CA P42336 1/20 0.41
▸ KDM5C P41229 2/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM5B Q9UGL1 2/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21257697 0.91 PIK3CA (0.46) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257814 0.89 KDM5B (0.48) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257720 0.88 KDM4C (0.50) JMJD6KDM5CKDM4CKDM5BKDM5A
SCHEMBL21257580 0.85 PIK3CA (0.41) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257715 0.79 KDM5B (0.47) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257696 0.77 KDM4C (0.55) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL17145118 0.77 JMJD6 (0.46) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257752 0.76 KDM4C (0.54) JMJD6PIK3CAKDM5CKDM4CKDM5B
SCHEMBL21257809 0.75 KDM4C (0.51) JMJD6KDM5CKDM4CKDM5BKDM5A
SCHEMBL21257664 0.75 KDM4C (0.48) JMJD6KDM5CKDM4CKDM5BKDM5A

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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