SCHEMBL8302686

SCHEMBL8302686

N#Cc1n[nH]c(N)c1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
GAA P10253 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
ERBB2 P04626 1/20 0.33
MAPK1 P28482 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GFER P55789 1/20 0.31
SGK1 O00141 1/20 0.31
SHMT1 P34896 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL2418512 0.85 GABRP (0.42) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL8551679 0.81
SCHEMBL8399379 0.81 NOTUM (0.36)
SCHEMBL8339081 0.79 KIF11 (0.41) MEN1MAPTKMT2ASMN1; SMN2SGK1
SCHEMBL11023002 0.76 PRKACA (0.39) DYRK1ACDK5CDK5R1GAAMEN1
SCHEMBL20819066 0.70 CDK5 (0.56) DYRK1ACDK5CDK5R1MEN1MAPT
SCHEMBL20837067 0.67 ADORA1 (0.45) DYRK1ACDK5CDK5R1GAAMEN1
SCHEMBL11133773 0.66 PRKACA (0.36) DYRK1ACDK5CDK5R1GAAMEN1
SCHEMBL1847850 0.65 PRKACA (0.48) DYRK1ACDK5CDK5R1GAAPOLB
SCHEMBL10915052 0.65 GAA (0.36) DYRK1ACDK5CDK5R1GAAMEN1

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
EP-0948487-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1999-10-13 EP disclosed
WO-1998028279-A1 PESTICIDAL 1-ARYL AND PYRIDYLPYRAZOLE DERIVATIVES RHONE-POULENC AGROCHIMIE (FR) 1998-07-02 WO disclosed