SCHEMBL14733486

SCHEMBL14733486

N#Cc1c(N)ccc2nc(CI)sc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.33
PSMB8 P28062 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
PIM1 P11309 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL16079017 0.78 PSMB8 (0.51) MDM4PSMB8ADORA2AADORA1KDM4E
SCHEMBL23087502 0.66 SLC22A12 (0.35) MDM4ADORA2AADORA1PIM1ALDH1A1
SCHEMBL5679618 0.62 SCN4A (0.42) ALDH1A1
SCHEMBL15927564 0.60 PSMB8 (0.42) PSMB8
SCHEMBL31275849 0.59 UBE2T (0.66) KDM4EALDH1A1
SCHEMBL20076959 0.58 KDM4E (0.38) MDM4ADORA2AADORA1KDM4EALDH1A1
SCHEMBL3984419 0.58 MAPT (0.59) MDM4KDM4EALDH1A1
SCHEMBL21063750 0.58 PSMB8 (0.65) PSMB8ADORA2AKDM4EALDH1A1
SCHEMBL1398115 0.57 ALDH1A1 (0.43) MDM4ADORA2AADORA1KDM4EALDH1A1
SCHEMBL20972654 0.56 MEN1 (0.34) ALDH1A1

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-2013026806-A1 DYRK1 INHIBITORS AND USES THEREOF EXONHIT SA (FR) 2013-02-28 WO disclosed