SCHEMBL20979057

SCHEMBL20979057

O=C(O)c1ccnc(-c2cn(CCN3CCC[C@H]3CC3CC3)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 10/20 0.64
▸ KDM2B Q8NHM5 5/20 0.63
▸ KDM5A P29375 9/20 0.58
▸ KDM5B Q9UGL1 9/20 0.58
▸ KDM4A O75164 1/20 0.52

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
SCHEMBL16078955 0.84 KDM2B (0.67) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075669 0.84 KDM2B (0.67) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075685 0.84 KDM2B (0.67) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL18612978 0.84 KDM2B (0.67) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075686 0.83 KDM2B (0.65) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075690 0.83 KDM2B (0.65) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL20978902 0.82 KDM2B (0.63) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075684 0.82 KDM2B (0.63) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL16075666 0.82 KDM2B (0.63) KDM4CKDM2BKDM5AKDM5BKDM4A
SCHEMBL20978933 0.79 KDM2B (0.60) KDM4CKDM2BKDM5AKDM5BKDM4A

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
Send feedback