SCHEMBL23458573

SCHEMBL23458573

c1cc(-c2nc3cnccn3n2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
AHR P35869 3/20 0.42
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE10A Q9Y233 2/20 0.36
CDK9 P50750 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
CDC7 O00311 1/20 0.35
MAPK13 O15264 1/20 0.35

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
SCHEMBL20157092 0.88 ADORA3 (0.47) AHRMEN1KMT2APDE10ACYP11B2
SCHEMBL7154783 0.85 AHR (0.43) DYRK1AAHRPDE10ACYP11B2ADORA3
SCHEMBL11475282 0.79 CYP11B2 (0.53) DYRK1AAHRPDE10ACYP11B2ADORA3
SCHEMBL18764057 0.76 TGFBR1 (0.49) DYRK1AKDM4CCYP11B2
SCHEMBL23486268 0.75 MAPT (0.34) AHRMEN1ALDH1A1KMT2APDE10A
SCHEMBL9106396 0.75 AHR (0.50) DYRK1AAHRKDM4CPDE10ACYP11B2
Hydrochloric Acid SCHEMBL23458449 0.74 NAMPT (0.33) AHRKMT2APDE10ALATS1MAPT
SCHEMBL23458471 0.74 AHR (0.32) AHR
SCHEMBL23458446 0.73 AHR (0.32) AHRKMT2AMAPT
SCHEMBL7708883 0.72 PDE10A (0.56) DYRK1AAHRMEN1KMT2APDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed
WO-2021110890-A1 PYRIDINIUM DERIVATIVES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-06-10 WO disclosed