SCHEMBL20041957

SCHEMBL20041957

CN(C)CNCc1cc(/C=N\C2CC2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 5/20 0.32
▸ KDM5C P41229 5/20 0.32
▸ KDM5B Q9UGL1 5/20 0.32
▸ SIRT2 Q8IXJ6 2/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4C Q9H3R0 2/20 0.31
▸ KDM5D Q9BY66 1/20 0.31
▸ BACE1 P56817 1/20 0.31

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
SCHEMBL15994045 0.85 CHRM2 (0.36) KDM5AKDM5CKDM5BSIRT2KDM6B
SCHEMBL16006935 0.85 CYP3A4 (0.33) KDM5AKDM5CKDM5BBACE1
SCHEMBL17984964 0.85 CYP3A4 (0.33) KDM5AKDM5CKDM5BBACE1
SCHEMBL17984968 0.85 CYP3A4 (0.33) KDM5AKDM5CKDM5BBACE1
SCHEMBL15994044 0.85 CHRM2 (0.36) KDM5AKDM5CKDM5BSIRT2KDM6B
SCHEMBL17984966 0.85 CYP3A4 (0.33) KDM5AKDM5CKDM5BBACE1
SCHEMBL16303319 0.84 CYP3A4 (0.31) KDM5AKDM5CKDM5BKDM6BKDM4A
SCHEMBL16006931 0.84 CHRM2 (0.39) KDM5AKDM5CKDM5BSIRT2KDM6B
SCHEMBL15994175 0.84 CHRM2 (0.39) KDM5AKDM5CKDM5BSIRT2KDM6B
SCHEMBL15994123 0.84 CYP3A4 (0.31) KDM5AKDM5CKDM5BKDM6BKDM4A

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-2961736-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2018-04-11 — — EP disclosed
Send feedback