SCHEMBL20978722

SCHEMBL20978722

O=C(O)c1ccnc(C2=CN(CCN3CCc4cc(F)ccc43)CN2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 10/20 0.68
▸ KDM4A O75164 5/20 0.68
▸ KDM2B Q8NHM5 4/20 0.68
▸ KDM5A P29375 8/20 0.46
▸ KDM5B Q9UGL1 7/20 0.46
▸ ALOX5 P09917 1/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.37
▸ HDAC1 Q13547 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
SCHEMBL20978938 0.83 KDM4C (0.67) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16033490 0.81 KDM4C (1.00) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978910 0.78 KDM5A (0.60) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16035034 0.76 KDM4C (1.00) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978807 0.75 KDM5B (0.62) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978859 0.74 KDM2B (0.44) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978805 0.73 KDM5B (0.59) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL16095000 0.73 KDM4C (0.66) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978815 0.73 KDM4C (0.48) KDM4CKDM4AKDM2BKDM5AKDM5B
SCHEMBL20978783 0.69 KDM2B (0.64) KDM4CKDM4AKDM2BKDM5AKDM5B

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
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
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