SCHEMBL21257581

SCHEMBL21257581

O=C(O)c1ccnc(CN2CCCN(CCN3CCC(F)(F)CC3)C(=O)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 9/20 0.47
▸ KDM5C P41229 1/20 0.47
▸ KDM2B Q8NHM5 2/20 0.42
▸ KDM5A P29375 6/20 0.37
▸ KDM5B Q9UGL1 5/20 0.37
▸ POLB P06746 1/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ KDM4A O75164 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL21257696 0.92 KDM4C (0.55) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257752 0.91 KDM4C (0.54) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257580 0.87 PIK3CA (0.41) KDM4CKDM5CKDM5AKDM5BPOLB
SCHEMBL21257809 0.82 KDM4C (0.51) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257664 0.82 KDM4C (0.48) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257720 0.81 KDM4C (0.50) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257697 0.78 PIK3CA (0.46) KDM4CKDM5CKDM5AKDM5BPOLB
SCHEMBL15636461 0.76 KDM4C (0.76) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL21257757 0.74 KDM4C (0.48) KDM4CKDM5CKDM2BKDM5AKDM5B
SCHEMBL2305288 0.73 KDM4C (0.76) KDM4CKDM5CKDM2BKDM5AKDM5B

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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