SCHEMBL10157584

SCHEMBL10157584

COC(=O)CCNc1cc(C(C)(C)C)nc(-c2ccccn2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6A O15550 4/20 0.52
KDM5C P41229 3/20 0.52
KDM5B Q9UGL1 3/20 0.52
KDM6B O15054 2/20 0.52
KDM4A O75164 2/20 0.52
KDM4B O94953 2/20 0.52
KDM2B Q8NHM5 2/20 0.52
KDM4C Q9H3R0 2/20 0.52
PHF8 Q9UPP1 2/20 0.52
KDM3A Q9Y4C1 2/20 0.52
KDM3B Q7LBC6 1/20 0.52
TET1 Q8NFU7 1/20 0.52
CYP1A2 P05177 2/20 0.51
HDAC1 Q13547 11/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM5A P29375 2/20 0.48
CHRNA1 P02708 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
OPRM1 P35372 1/20 0.48

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
SCHEMBL10156418 0.91 KDM6A (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL29374054 0.89 KDM6A (0.59) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157756 0.89 KDM6A (0.59) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157083 0.84 KDM6A (0.54) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL2722520 0.78 CYP1A2 (0.50) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL2722871 0.78 KDM6A (0.50) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL2723353 0.78 KDM6A (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL29409207 0.78 ALDH1A1 (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157580 0.78 ALDH1A1 (0.64) KDM6AKDM5CKDM5BKDM6BKDM4A
SCHEMBL10157075 0.77 KDM6A (0.49) KDM6AKDM5CKDM5BKDM6BKDM4A

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-2012052390-A1 N-2-(2-PYRIDINYL)-4-PYRIMIDINYL-BETA-ALANINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE JMJD3 GLAXO GROUP LIMITED (GB) 2012-04-26 WO disclosed